data_2kz5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kz5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 111.97 0.359 . . . . 72.3 111.97 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.01 -45.32 87.07 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.038 0.447 . . . . 73.02 110.968 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -66.91 -34.41 77.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.417 -0.356 . . . . 71.51 111.352 177.406 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.21 -50.02 75.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.396 0.617 . . . . 74.5 110.661 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -53.41 58.68 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 74.43 112.431 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.8 -24.17 64.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.549 0.574 . . . . 74.21 112.549 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -49.9 14.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.208 0.527 . . . . 75.25 111.252 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.527 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.9 mmm -83.05 0.89 42.81 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.307 -0.406 . . . . 74.43 111.317 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 62.68 62.92 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.626 0.727 . . . . 73.03 112.314 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 46.4 mm -95.3 125.03 51.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.619 -0.718 . . . . 73.35 110.613 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 1.1 Cg_endo -83.09 16.57 1.83 Allowed 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 122.872 2.382 . . . . 72.21 114.604 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE1' HD13 ' A' ' 57' ' ' LEU . 31.4 p90 -146.7 148.22 32.68 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 122.174 -0.328 . . . . 70.25 111.544 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.31 145.61 88.72 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.107 2.538 . . . . 75.35 114.364 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.702 -0.681 . . . . 71.15 112.496 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.68 -44.52 85.84 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.994 0.426 . . . . 75.2 111.461 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.5 -41.35 72.96 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.054 0.454 . . . . 73.33 111.015 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 56.3 mt -57.22 -35.45 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.381 0.61 . . . . 73.1 111.734 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.27 -45.25 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.196 0.522 . . . . 70.15 112.26 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -79.3 -25.71 42.36 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.313 0.857 . . . . 65.12 113.313 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.44 HD13 HD21 ' A' ' 51' ' ' LEU . 51.2 mt -71.82 145.79 89.84 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 111.985 0.365 . . . . 75.34 111.985 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.06 167.28 27.58 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.769 2.313 . . . . 73.13 112.286 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.39 -40.16 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 112.172 0.434 . . . . 72.13 112.172 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.59 -62.0 1.98 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.1 0.476 . . . . 70.41 111.549 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.08 -36.68 84.4 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.948 -0.569 . . . . 61.1 110.767 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.12 -49.94 74.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.846 0.458 . . . . 73.35 111.922 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.06 -48.85 75.28 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.053 0.454 . . . . 75.04 111.422 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.4 mt-10 -63.56 -39.01 93.3 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.328 -0.396 . . . . 63.04 111.358 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 43' ' ' LEU . 61.8 tp -54.69 -42.96 72.05 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 71.01 110.726 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD23 HG13 ' A' ' 65' ' ' VAL . 63.3 mt -64.08 -54.62 31.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.445 0.64 . . . . 74.35 111.191 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.92 67.8 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.173 0.805 . . . . 64.1 113.173 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 81.5 mtp180 -76.91 -30.87 56.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.241 0.46 . . . . 74.13 112.241 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -101.23 137.88 19.8 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.067 0.395 . . . . 73.03 112.067 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.62 83.85 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.467 2.111 . . . . 61.53 112.808 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 35' ' ' PHE . 91.6 mt -111.32 143.09 42.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.013 -0.54 . . . . 74.13 111.795 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.416 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 41.5 p -80.79 172.96 13.1 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.176 -0.466 . . . . 71.05 110.78 173.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.2 -31.17 72.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.902 0.382 . . . . 71.14 110.918 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -73.33 -42.47 62.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.061 -0.518 . . . . 63.21 111.294 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.497 ' O ' HG21 ' A' ' 65' ' ' VAL . 53.7 mt-30 -61.24 -48.97 79.01 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.763 0.315 . . . . 71.05 110.915 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.55 -40.7 72.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.404 -0.362 . . . . 73.23 111.489 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.67 81.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.867 0.365 . . . . 72.44 111.129 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.527 HD22 ' HG3' ' A' ' 31' ' ' MET . 49.9 tp -62.55 -48.13 80.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.346 -0.388 . . . . 74.22 111.452 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 61' ' ' GLN . 42.1 t -55.56 -42.71 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.078 0.466 . . . . 71.2 111.131 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -61.15 -34.96 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.118 -0.492 . . . . 73.14 111.839 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 28.3 t70 -76.27 -50.82 13.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.56 -0.291 . . . . 74.34 111.209 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -54.38 -43.51 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 120.694 0.283 . . . . 73.5 111.258 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.42 -45.2 35.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.287 0.565 . . . . 73.32 109.866 174.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -74.26 -39.35 63.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.758 -0.655 . . . . 73.43 111.779 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 22.4 mmt180 -58.84 -50.2 74.87 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.945 0.402 . . . . 74.04 111.545 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.55 85.75 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.709 -0.758 . . . . 42.1 112.331 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 120.712 0.291 . . . . 73.5 111.381 179.382 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.614 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 14.7 m-20 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 112.219 0.452 . . . . 63.12 112.219 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.46 -26.08 64.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 120.821 0.343 . . . . 72.42 111.115 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -61.4 -42.15 98.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.789 0.328 . . . . 63.25 111.29 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 4.9 mpt_? -56.4 -42.51 78.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.308 -0.405 . . . . 73.4 111.474 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -58.04 8.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.306 -0.406 . . . . 73.35 111.976 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -65.33 -33.13 75.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.285 0.476 . . . . 73.53 112.285 -177.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' HD13 ' A' ' 29' ' ' LEU . . . -65.5 -46.79 78.31 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.902 0.382 . . . . 75.41 111.595 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.545 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.6 mmm -89.11 4.29 48.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.415 -0.357 . . . . 75.5 111.737 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.7 mmpt? 61.9 31.1 18.27 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.595 0.591 . . . . 72.34 112.595 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.3 mm -57.5 117.23 17.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 122.342 0.257 . . . . 75.53 111.229 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.66 13.03 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 122.976 2.451 . . . . 73.4 114.839 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -145.45 149.3 40.33 Favored Pre-proline 0 N--CA 1.473 0.715 0 O-C-N 122.157 -0.339 . . . . 73.21 111.507 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.0 155.43 42.92 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.838 2.358 . . . . 64.44 114.315 -172.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -66.78 -41.33 87.83 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.529 -0.759 . . . . 73.14 112.235 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -48.28 59.63 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.341 -0.391 . . . . 70.21 111.847 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.9 ttmm -54.31 -52.41 61.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.362 -0.381 . . . . 72.1 111.131 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.6 mt -51.57 -40.33 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.879 -0.601 . . . . 75.51 112.305 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.97 -45.17 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 112.389 0.515 . . . . 74.03 112.389 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.25 -19.33 56.71 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.913 0.709 . . . . 72.13 112.913 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 51' ' ' LEU . 40.3 mt -72.16 131.13 85.5 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 120.943 0.401 . . . . 75.35 111.539 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 164.86 29.99 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.208 1.939 . . . . 72.23 111.648 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.6 -37.29 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.288 0.477 . . . . 74.44 112.288 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.32 -63.98 1.08 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.862 0.363 . . . . 74.54 111.609 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.61 -28.38 68.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.797 0.295 . . . . 71.33 111.797 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.96 -57.86 10.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.991 0.424 . . . . 64.23 111.514 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.63 -33.94 76.74 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.487 -0.324 . . . . 73.31 111.717 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -35.58 76.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.754 0.312 . . . . 71.44 111.502 174.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.483 HD23 HD13 ' A' ' 43' ' ' LEU . 52.4 tp -58.67 -42.55 88.74 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 74.52 110.95 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.3 -20.24 65.95 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.918 -0.583 . . . . 74.35 111.877 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.13 -1.88 58.28 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.788 0.328 . . . . 74.43 111.874 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.65 -56.57 2.64 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.07 0.462 . . . . 74.51 111.756 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -94.44 146.28 31.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 116.07 -0.514 . . . . 64.03 111.825 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.61 109.29 2.6 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.567 2.178 . . . . 70.21 112.874 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.6 mt -129.9 145.0 51.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.903 0.383 . . . . 74.0 111.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -88.22 160.24 17.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.434 -0.348 . . . . 75.32 110.78 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.54 -34.04 10.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.237 0.458 . . . . 74.53 112.237 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -68.41 -41.29 80.63 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 73.4 111.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 65' ' ' VAL . 55.9 mt-30 -66.51 -42.9 86.61 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 111.804 0.298 . . . . 74.01 111.804 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.02 -38.76 76.8 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.341 . . . . 72.24 111.209 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.4 86.13 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.013 0.435 . . . . 41.44 110.951 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.545 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.4 tp -59.99 -43.64 95.04 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.048 -0.524 . . . . 74.4 111.924 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.8 t -55.15 -41.43 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 120.914 0.388 . . . . 70.24 111.181 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 66' ' ' ARG . 27.7 mtm-85 -69.69 -38.49 77.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.86 0.362 . . . . 74.53 111.153 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.0 -50.56 72.35 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.226 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.09 -46.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.296 0.57 . . . . 73.3 110.959 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.49 -36.72 62.01 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.756 -0.656 . . . . 75.15 111.475 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -71.31 -49.36 43.43 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.75 0.278 . . . . 74.55 111.75 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -58.92 -54.76 43.46 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.881 0.372 . . . . 73.34 111.784 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.94 -35.01 62.42 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.027 -0.606 . . . . 75.34 113.093 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 120.724 0.297 . . . . 74.02 111.772 -179.038 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' HB2' HG22 ' A' ' 37' ' ' THR . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 120.643 0.259 . . . . 60.32 110.717 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -55.03 -39.15 68.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.849 0.357 . . . . 64.11 111.253 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -60.13 -40.14 88.75 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.78 0.324 . . . . 75.25 110.345 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -58.15 -46.73 85.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.224 0.535 . . . . 73.12 110.917 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.764 -0.653 . . . . 73.41 111.991 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.56 -27.34 65.05 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.193 0.442 . . . . 72.43 112.193 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.63 71.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.875 0.369 . . . . 75.52 111.789 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.541 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.8 mmm -99.59 6.27 45.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.454 -0.339 . . . . 72.22 111.508 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 56.64 74.53 0.4 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 74.3 112.435 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -103.81 118.15 58.02 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.773 -0.649 . . . . 64.21 110.634 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.45 24.96 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 122.784 2.323 . . . . 62.14 114.307 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.3 143.54 12.99 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.653 0.263 . . . . 74.34 111.364 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.68 155.98 61.84 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.902 2.401 . . . . 73.21 113.915 -175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 24' ' ' ASP . 70.4 p -63.64 -41.44 98.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.718 -0.674 . . . . 73.25 112.366 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.02 -41.63 47.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.807 0.337 . . . . 63.14 111.537 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.81 -46.36 88.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.04 0.448 . . . . 65.44 110.696 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -53.41 -38.52 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.984 -0.553 . . . . 73.21 112.169 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 69' ' ' ARG . 41.4 t -87.66 -43.21 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 112.586 0.587 . . . . 73.54 112.586 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -86.89 21.0 2.39 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.418 0.896 . . . . 74.21 113.418 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 51' ' ' LEU . 58.5 mt -103.96 140.19 20.82 Favored Pre-proline 0 N--CA 1.471 0.62 0 O-C-N 122.244 -0.285 . . . . 75.41 111.078 170.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.87 154.39 70.09 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 121.87 1.713 . . . . 74.04 111.699 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -48.22 -39.67 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 113.222 0.823 . . . . 73.54 113.222 -174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -55.06 27.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.95 0.405 . . . . 65.41 111.604 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.9 -20.03 66.08 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.051 0.389 . . . . 72.14 112.051 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.99 -46.95 69.88 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.874 0.369 . . . . 73.44 110.403 173.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.71 -41.92 91.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.137 0.494 . . . . 64.24 110.437 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 20.4 mm-40 -55.51 -50.6 69.54 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.866 -0.606 . . . . 74.23 111.307 172.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 43' ' ' LEU . 57.6 tp -48.83 -48.49 41.62 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.012 -0.54 . . . . 71.44 111.698 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.93 -42.17 97.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.0 0.428 . . . . 73.14 111.93 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.68 58.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.323 0.49 . . . . 74.34 112.323 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.5 mtt180 -76.62 -27.94 55.91 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.651 0.612 . . . . 62.54 112.651 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -109.44 139.33 21.02 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 122.291 -0.256 . . . . 71.43 111.496 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.25 104.99 0.95 Allowed 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.725 2.283 . . . . 74.23 112.848 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.24 141.82 50.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.91 0.386 . . . . 75.32 111.645 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 44.0 p -83.83 163.64 19.99 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.701 -0.227 . . . . 74.42 110.498 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.12 -47.72 12.16 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.064 0.459 . . . . 75.34 111.956 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 m -64.76 -33.44 75.99 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.177 -0.465 . . . . 73.51 112.05 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 65' ' ' VAL . 49.6 mt-30 -68.63 -42.02 78.64 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 122.402 -0.186 . . . . 75.43 111.267 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.21 -42.9 99.41 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.86 0.362 . . . . 65.11 110.87 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.71 85.19 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.015 0.436 . . . . 74.43 111.046 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.541 HD22 ' HG3' ' A' ' 31' ' ' MET . 55.8 tp -59.32 -50.59 73.42 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.329 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 61' ' ' GLN . 88.3 t -54.06 -42.37 54.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.898 0.38 . . . . 71.43 111.426 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -61.11 -42.59 98.81 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.375 -0.375 . . . . 73.21 111.538 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.82 -34.91 74.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.891 0.377 . . . . 70.44 111.04 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 64' ' ' LEU . 68.5 mt -62.7 -43.7 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.674 0.273 . . . . 73.34 111.025 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HA ' HG22 ' A' ' 41' ' ' VAL . 13.3 ttm180 -63.51 -43.03 98.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.981 0.42 . . . . 73.23 110.855 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -56.93 -42.13 79.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.065 -0.516 . . . . 75.04 111.273 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -73.26 -48.11 37.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.17 0.509 . . . . 75.32 111.551 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.43 -35.28 90.79 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 116.152 -0.477 . . . . 72.01 113.231 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.583 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 CA-C-O 120.693 0.282 . . . . 74.23 110.771 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.274 0.559 . . . . 71.44 110.538 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.11 -35.9 80.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.924 -0.58 . . . . 73.11 111.539 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 33.3 mmt180 -61.8 -39.69 92.59 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.683 0.278 . . . . 72.35 111.403 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HB3' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.79 -44.13 86.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.17 0.509 . . . . 75.21 110.557 171.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -55.6 -57.85 10.24 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.768 -0.651 . . . . 73.13 112.29 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -63.4 -29.46 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.009 0.374 . . . . 70.4 112.009 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.413 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -68.7 -40.78 79.85 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.122 0.487 . . . . 75.53 111.316 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.537 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 96.2 mmm -86.78 -10.62 53.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.182 -0.463 . . . . 73.2 111.238 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 mttp 76.32 63.66 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.672 0.789 . . . . 72.12 112.078 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.495 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.2 mm -95.5 117.88 66.4 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 115.601 -0.727 . . . . 75.04 110.739 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.2 8.67 4.23 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.747 2.298 . . . . 74.34 114.82 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 57' ' ' LEU . 22.7 p90 -134.53 150.35 73.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 122.035 -0.416 . . . . 74.33 111.888 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.82 154.81 63.34 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.05 2.5 . . . . 75.03 114.419 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.539 ' HA ' HD13 ' A' ' 40' ' ' ILE . 66.3 p -67.7 -39.95 84.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.655 -0.702 . . . . 72.41 112.319 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.13 -50.84 63.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.923 0.392 . . . . 72.35 111.689 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -58.07 -44.57 87.58 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.396 -0.365 . . . . 71.14 111.139 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 37' ' ' THR . 82.9 mt -49.65 -48.9 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.186 0.517 . . . . 72.34 111.769 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 57.9 t -69.46 -39.76 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-N 116.088 -0.505 . . . . 63.44 111.91 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.514 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -76.48 -27.46 56.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.099 0.777 . . . . 74.32 113.099 -174.031 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD13 HD23 ' A' ' 51' ' ' LEU . 66.9 mt -68.78 130.67 91.59 Favored Pre-proline 0 N--CA 1.473 0.68 0 N-CA-C 112.011 0.374 . . . . 74.0 112.011 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.45 -178.56 1.9 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.669 2.246 . . . . 65.32 112.953 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 p -54.14 -57.13 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 113.882 1.067 . . . . 71.31 113.882 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.14 -49.11 71.17 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.88 -0.512 . . . . 74.43 111.792 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.73 -35.04 75.35 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.912 0.386 . . . . 75.22 111.406 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.417 ' CE1' HG12 ' A' ' 65' ' ' VAL . 88.9 t80 -61.46 -50.14 74.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.168 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.93 -40.32 88.5 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.953 0.406 . . . . 74.44 110.957 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 29.9 mm-40 -57.71 -49.0 77.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.288 -0.414 . . . . 75.32 111.193 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.498 HD23 HD13 ' A' ' 43' ' ' LEU . 47.2 tp -51.38 -45.96 62.62 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.026 0.441 . . . . 74.03 111.173 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.91 -36.51 84.62 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.961 0.41 . . . . 73.23 111.845 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.38 -19.53 46.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.525 0.565 . . . . 73.41 112.525 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 68.6 mtt180 -94.34 3.42 55.23 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.692 0.627 . . . . 75.11 112.692 -175.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -132.33 148.72 70.84 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.894 0.378 . . . . 74.54 111.802 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.97 85.65 1.34 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.332 2.021 . . . . 62.44 112.3 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 35' ' ' PHE . 76.8 mt -117.07 131.31 56.95 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.061 -0.518 . . . . 75.15 111.543 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.9 p -68.62 155.74 39.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.956 0.407 . . . . 74.53 111.209 174.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -47.32 -44.32 23.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.832 0.679 . . . . 72.41 112.832 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -65.19 -34.42 78.32 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.015 0.436 . . . . 65.24 111.712 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.537 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 52.6 mt-30 -62.05 -44.99 95.51 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.469 -0.332 . . . . 75.14 111.395 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.537 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 mp -59.75 -44.48 93.79 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.852 0.358 . . . . 71.32 110.582 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.18 74.13 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.992 0.425 . . . . 74.43 111.736 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 HD23 ' HB3' ' A' ' 27' ' ' ARG . 67.8 tp -66.07 -53.27 40.35 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.116 -0.493 . . . . 73.31 110.976 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.507 HG11 HD12 ' A' ' 40' ' ' ILE . 71.2 t -53.29 -37.95 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 116.209 -0.45 . . . . 74.2 111.985 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 26.7 mtp180 -63.81 -39.82 95.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.886 0.374 . . . . 75.13 111.368 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 30.9 t70 -67.68 -43.92 79.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.512 -0.313 . . . . 74.31 110.653 176.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.74 -42.66 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.032 0.444 . . . . 63.23 111.503 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 55.7 ttp180 -62.13 -50.2 72.82 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.444 -0.344 . . . . 72.0 111.537 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 29.8 ptt180 -69.67 -28.33 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 111.65 0.241 . . . . 74.33 111.65 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -68.93 -50.66 47.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.824 0.345 . . . . 75.21 111.103 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.89 95.71 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.965 -0.636 . . . . 61.23 112.698 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 111.768 0.284 . . . . 71.31 111.768 178.427 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.418 ' HA ' ' NH1' ' A' ' 27' ' ' ARG . 4.8 m-20 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.165 0.507 . . . . 63.54 111.451 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -70.22 -34.96 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.801 -0.636 . . . . 72.42 111.631 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.59 -25.02 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.055 0.391 . . . . 75.4 112.055 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.52 ' HB3' HD13 ' A' ' 64' ' ' LEU . 67.2 mtt85 -58.74 -43.84 90.32 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.156 0.503 . . . . 74.44 110.934 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . . . -61.94 -57.23 12.53 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.898 -0.592 . . . . 72.55 112.013 -177.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.2 pp -63.85 -28.47 69.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 111.96 0.356 . . . . 75.33 111.96 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -67.49 -48.67 66.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.764 0.316 . . . . 64.32 111.589 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.1 mmm -91.84 7.51 41.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.478 -0.328 . . . . 73.44 111.517 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.9 71.9 0.56 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.606 0.717 . . . . 74.01 112.477 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 51.0 mm -102.1 111.48 64.36 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.595 -0.729 . . . . 71.52 110.204 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.94 25.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 122.784 2.322 . . . . 60.21 115.092 -172.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -146.41 147.92 32.52 Favored Pre-proline 0 N--CA 1.474 0.757 0 O-C-N 121.862 -0.524 . . . . 73.45 111.927 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.56 139.99 79.0 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 123.348 2.699 . . . . 75.54 114.62 -173.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.531 ' HA ' HD13 ' A' ' 40' ' ' ILE . 70.2 p -65.64 -40.53 92.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.711 -0.677 . . . . 71.51 112.618 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.71 -43.25 72.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.123 0.487 . . . . 73.4 111.718 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.7 -36.09 83.17 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.204 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.55 HD12 HG11 ' A' ' 65' ' ' VAL . 69.8 mt -55.78 -40.93 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.236 0.541 . . . . 74.01 111.414 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' HA3' ' A' ' 72' ' ' GLY . 62.9 t -74.63 -36.57 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.914 -0.585 . . . . 73.54 111.865 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.505 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.8 OUTLIER -73.6 -40.36 63.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.391 0.515 . . . . 71.43 112.391 -176.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.87 136.17 94.4 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.237 0.458 . . . . 72.41 112.237 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 176.1 8.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.705 2.27 . . . . 73.34 112.645 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.53 -43.31 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 113.04 0.755 . . . . 70.32 113.04 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.92 -55.39 26.39 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.867 0.365 . . . . 73.04 111.528 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 -37.13 76.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.945 0.402 . . . . 73.45 111.427 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -61.29 -50.02 74.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.096 -0.502 . . . . 75.14 111.214 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.781 0.324 . . . . 75.13 111.287 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.8 mm-40 -55.19 -51.02 67.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.919 0.39 . . . . 74.52 110.674 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -50.59 -49.44 56.35 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.885 -0.598 . . . . 72.23 111.48 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.98 -31.7 72.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.387 0.514 . . . . 74.24 112.387 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.53 -21.91 35.22 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.227 0.455 . . . . 64.43 112.227 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 85.6 mtt180 -90.39 -16.83 28.35 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.513 0.56 . . . . 75.41 112.513 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -106.03 145.25 30.57 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-O 121.066 0.46 . . . . 75.32 112.119 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.85 43.65 1.41 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.048 2.499 . . . . 74.45 113.894 -174.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 72.7 mt -82.14 145.77 29.94 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.946 0.403 . . . . 75.53 111.686 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 p -85.39 164.26 18.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.604 -0.271 . . . . 64.33 110.959 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -47.69 -36.29 10.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.863 0.69 . . . . 73.45 112.863 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -67.72 -40.62 84.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.944 0.402 . . . . 62.34 111.345 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 49.6 mt-30 -66.48 -43.58 85.06 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.339 -0.391 . . . . 72.22 111.776 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.14 -40.21 88.99 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.957 0.408 . . . . 74.32 111.361 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.91 86.61 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.905 0.383 . . . . 70.44 111.235 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 27' ' ' ARG . 37.6 tp -61.47 -53.01 62.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.267 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.55 HG11 HD12 ' A' ' 40' ' ' ILE . 64.5 t -53.54 -39.98 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.037 -0.529 . . . . 73.13 111.716 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -62.02 -35.68 79.28 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.33 0.492 . . . . 74.3 112.33 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 29.6 t70 -73.76 -40.34 63.56 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.166 -0.334 . . . . 73.52 110.846 176.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.95 -40.77 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.911 0.386 . . . . 52.54 110.953 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -53.88 -50.49 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.269 0.557 . . . . 74.13 110.516 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.21 -45.68 87.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.676 -0.693 . . . . 74.35 111.763 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 16.9 mmm180 -51.29 -57.22 9.44 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.527 0.565 . . . . 75.15 112.527 -176.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.406 ' HA3' HG23 ' A' ' 41' ' ' VAL . . . -74.23 -36.66 50.17 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.879 -0.677 . . . . 72.3 113.564 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm . . . . . 0 N--CA 1.47 0.545 0 O-C-N 122.468 -0.431 . . . . 72.51 111.943 -175.435 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.047 0.451 . . . . 72.22 111.593 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -57.83 -36.72 72.67 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.141 0.423 . . . . 75.34 112.141 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -59.89 -29.1 68.11 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.048 0.452 . . . . 75.01 111.087 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -78.79 -42.21 28.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.285 0.564 . . . . 65.44 110.518 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -56.3 -55.14 37.0 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.707 -0.679 . . . . 73.44 111.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.83 -23.48 67.25 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.955 0.354 . . . . 71.54 111.955 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.54 -49.31 42.0 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.9 0.381 . . . . 73.15 111.444 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.0 mmm -85.73 6.81 26.12 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.422 -0.353 . . . . 75.31 111.806 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt 63.84 72.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 73.24 112.024 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.414 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.2 mm -108.39 116.17 56.87 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 116.456 -0.338 . . . . 73.45 110.628 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -24.36 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.799 2.333 . . . . 73.32 114.097 -176.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -102.86 141.02 21.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.859 0.362 . . . . 74.2 111.904 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.69 143.9 82.35 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.884 2.389 . . . . 72.05 114.033 -175.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.521 ' HA ' HD13 ' A' ' 40' ' ' ILE . 73.2 p -58.22 -40.07 80.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.025 -0.534 . . . . 72.24 111.751 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.59 -47.61 66.8 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.398 -0.365 . . . . 74.14 111.392 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.9 ttmt -60.33 -43.63 96.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.688 0.28 . . . . 73.53 110.913 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 37' ' ' THR . 63.5 mt -52.1 -37.34 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.266 0.555 . . . . 74.15 111.452 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.441 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . 60.8 t -80.84 -45.33 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.987 -0.551 . . . . 70.33 112.212 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.45 -6.26 42.39 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.562 0.578 . . . . 73.0 112.562 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 75.3 mt -83.92 143.49 43.23 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.092 -0.38 . . . . 74.33 111.026 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.73 167.7 25.81 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.287 1.991 . . . . 62.51 112.176 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.98 -41.57 59.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 112.668 0.618 . . . . 74.22 112.668 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.82 -60.93 2.38 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.85 0.357 . . . . 64.42 111.216 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.63 -27.72 41.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.286 0.476 . . . . 74.21 112.286 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.28 -53.37 58.49 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.006 0.431 . . . . 73.51 111.127 173.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -63.66 -31.19 72.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.046 0.45 . . . . 73.42 111.025 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 25.3 mm-40 -62.75 -49.75 73.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.854 0.359 . . . . 74.42 111.145 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.2 tp -54.39 -47.8 72.3 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.156 -0.475 . . . . 74.43 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.478 HD23 HG13 ' A' ' 65' ' ' VAL . 92.0 mt -63.32 -33.9 76.52 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 72.53 112.158 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.11 -33.97 56.8 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.971 0.415 . . . . 44.14 111.708 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 95.9 mtt180 -78.93 -31.47 45.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.878 0.371 . . . . 75.22 111.198 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -106.09 101.07 32.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.581 -0.281 . . . . 61.54 110.75 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -66.39 81.57 0.3 Allowed 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.755 2.303 . . . . 74.11 113.424 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 87.1 mt -91.55 162.55 14.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.03 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.483 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 30.5 p -71.84 147.68 46.93 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.209 -0.307 . . . . 74.31 110.541 176.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.77 -22.79 3.88 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.853 0.359 . . . . 62.35 111.689 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.8 m -75.45 -42.62 52.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.298 -0.41 . . . . 74.13 111.216 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.483 ' HG3' ' OG1' ' A' ' 58' ' ' THR . 56.9 mt-30 -61.81 -46.39 89.73 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 122.292 -0.255 . . . . 74.12 111.232 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.2 mp -58.0 -32.66 68.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.67 0.271 . . . . 73.24 111.386 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.99 90.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.131 0.491 . . . . 72.32 111.292 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.41 -49.18 61.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 73.14 111.128 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.478 HG13 HD23 ' A' ' 52' ' ' LEU . 59.8 t -54.93 -43.38 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 72.24 111.291 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -65.8 -30.03 70.6 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.502 -0.317 . . . . 74.35 111.454 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.96 -51.96 16.35 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.695 0.283 . . . . 73.42 111.026 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.493 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 71.5 mt -55.71 -45.53 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.03 0.443 . . . . 72.02 111.039 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -49.84 -48.06 51.22 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.881 -0.599 . . . . 71.43 111.232 174.402 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.96 -40.24 83.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.822 0.344 . . . . 75.32 110.504 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.493 ' HD3' ' HA ' ' A' ' 68' ' ' ILE . 32.4 mtp85 -57.88 -58.0 10.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.274 0.559 . . . . 74.32 111.734 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.39 -36.57 91.77 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.948 -0.569 . . . . 75.13 113.077 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 41' ' ' VAL . 15.4 tppt? . . . . . 0 CA--C 1.541 0.631 0 O-C-N 122.369 -0.489 . . . . 72.4 110.891 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.383 0.512 . . . . 63.03 112.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.63 -36.15 69.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.716 0.293 . . . . 75.04 110.992 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -63.84 -47.17 81.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.943 0.402 . . . . 74.31 110.255 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.454 ' HB3' HD13 ' A' ' 64' ' ' LEU . 8.1 mtp85 -57.07 -39.91 75.87 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.999 -0.546 . . . . 74.41 111.278 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -51.84 62.19 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.182 -0.463 . . . . 72.31 112.125 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.45 -20.73 59.92 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 111.977 0.362 . . . . 75.41 111.977 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.06 71.01 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.845 0.355 . . . . 75.34 111.795 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.44 ' HG3' HD22 ' A' ' 64' ' ' LEU . 93.9 mmm -99.57 -0.66 40.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 71.32 111.729 177.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm 61.71 78.01 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.168 0.587 . . . . 75.3 112.272 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -92.3 118.02 67.92 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.019 -0.537 . . . . 62.52 110.419 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.56 28.51 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.946 2.43 . . . . 72.35 114.465 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.443 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 44.4 p90 -157.89 155.39 26.47 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 122.193 -0.317 . . . . 73.43 111.591 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 31.0 Cg_endo -61.9 136.66 62.87 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.018 2.479 . . . . 73.04 114.193 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 74.8 p -65.93 -38.39 88.53 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.884 -0.598 . . . . 74.45 112.499 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -54.8 -43.92 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.977 0.418 . . . . 63.43 111.138 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -55.65 -38.87 70.15 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.25 -0.432 . . . . 64.03 111.498 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 69' ' ' ARG . 74.6 mt -52.66 -43.32 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.269 0.557 . . . . 75.52 111.897 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 69' ' ' ARG . 26.7 t -89.42 -26.78 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.067 -0.515 . . . . 70.34 112.365 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -91.77 -13.92 30.73 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.775 1.028 . . . . 73.42 113.775 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.27 144.58 47.01 Favored Pre-proline 0 N--CA 1.473 0.712 0 O-C-N 121.774 -0.579 . . . . 64.43 111.596 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.31 167.49 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.481 2.121 . . . . 65.42 112.124 174.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.0 p -56.3 -41.34 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.822 0.675 . . . . 75.01 112.822 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.33 -57.73 6.86 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 111.943 0.349 . . . . 74.35 111.943 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.28 -34.38 57.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.001 0.429 . . . . 62.35 111.136 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' HE1' HG22 ' A' ' 40' ' ' ILE . 83.3 t80 -63.48 -46.34 86.64 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.131 -0.486 . . . . 74.24 111.124 175.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.18 -46.71 82.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.072 0.463 . . . . 73.45 111.157 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.0 -34.33 76.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.026 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -55.43 -50.01 70.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.843 0.354 . . . . 75.23 110.89 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.36 -36.78 74.0 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.335 0.588 . . . . 75.51 111.498 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.43 53.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.946 -0.57 . . . . 75.44 112.354 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.17 -3.46 58.82 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.98 0.733 . . . . 73.2 112.98 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 70.1 m-85 -125.6 149.11 64.05 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.306 0.484 . . . . 75.43 112.306 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 4.1 Cg_exo -75.87 42.49 0.96 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.507 2.805 . . . . 72.42 113.207 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.66 136.72 51.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.99 0.424 . . . . 73.25 111.85 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.423 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 28.1 p -72.03 157.96 36.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.393 -0.367 . . . . 75.25 110.035 172.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -49.26 -38.54 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.05 0.453 . . . . 64.3 111.384 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -65.69 -39.22 91.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.065 -0.516 . . . . 75.53 111.368 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 65' ' ' VAL . 53.6 mt-30 -65.92 -42.11 90.55 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.924 0.342 . . . . 75.23 111.924 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.08 -40.98 77.97 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.97 0.414 . . . . 74.3 110.612 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.06 97.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 64.53 111.335 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 27' ' ' ARG . 61.9 tp -62.03 -50.36 72.35 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.489 -0.323 . . . . 73.11 111.281 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 61' ' ' GLN . 98.0 t -56.07 -45.89 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.172 0.511 . . . . 74.23 111.025 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -62.16 -37.05 83.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.519 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 21.9 t70 -67.79 -45.58 74.42 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.61 -0.268 . . . . 73.12 111.033 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 64' ' ' LEU . 73.8 mt -54.34 -48.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.103 0.478 . . . . 74.44 110.993 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' HA ' HG22 ' A' ' 41' ' ' VAL . 53.0 ttp180 -61.61 -40.81 96.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.272 0.558 . . . . 74.4 110.884 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -60.42 -44.67 95.52 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.628 -0.714 . . . . 74.54 111.247 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 29.4 mmt180 -65.01 -46.41 81.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.872 0.368 . . . . 72.43 110.819 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.6 -40.26 98.92 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.072 -0.513 . . . . 61.14 113.488 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 112.417 0.525 . . . . 74.15 112.417 -179.275 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 121.205 0.526 . . . . 54.14 111.125 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.21 -45.29 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.643 -0.708 . . . . 73.52 111.252 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -61.39 -36.33 79.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.98 -0.554 . . . . 73.35 111.561 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.93 -42.79 84.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.11 0.481 . . . . 75.4 110.466 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -54.52 44.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.944 -0.571 . . . . 73.23 112.033 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.58 -20.98 64.55 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.088 0.403 . . . . 72.53 112.088 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.85 98.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.124 0.488 . . . . 63.42 111.162 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mmm -100.37 -8.23 23.54 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.359 -0.382 . . . . 73.44 111.487 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 66.34 93.94 0.07 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.618 0.767 . . . . 74.22 112.467 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 51.4 mm -111.47 124.58 32.26 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.798 -0.637 . . . . 74.52 110.962 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 12.6 Cg_exo -70.39 -18.32 34.13 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.021 2.48 . . . . 63.12 114.851 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -116.69 149.33 43.73 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 112.423 0.527 . . . . 71.43 112.423 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.32 141.71 82.86 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.146 2.564 . . . . 71.34 114.097 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.4 p -61.07 -41.75 97.21 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.601 -0.727 . . . . 74.31 112.503 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -54.61 -48.86 71.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.363 -0.38 . . . . 75.03 111.894 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.06 -40.91 86.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.588 -0.278 . . . . 73.11 111.592 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.438 HD11 HG11 ' A' ' 65' ' ' VAL . 65.1 mt -52.68 -39.74 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.512 0.672 . . . . 71.51 111.228 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.79 -35.95 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.672 -0.694 . . . . 71.03 112.233 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -82.38 -29.56 30.79 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.959 0.726 . . . . 72.32 112.959 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.87 139.58 93.42 Favored Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 122.092 -0.38 . . . . 74.14 111.92 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.0 172.12 16.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.66 2.24 . . . . 75.13 111.968 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.89 -39.47 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 112.356 0.502 . . . . 72.45 112.356 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.06 -63.0 1.46 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.036 0.446 . . . . 73.43 111.598 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.64 -25.41 65.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.293 -0.412 . . . . 72.02 111.746 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.73 -50.68 68.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.022 0.439 . . . . 73.23 110.742 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -59.38 -45.15 92.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.155 -0.475 . . . . 61.33 110.903 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 58.6 mm-40 -57.62 -45.91 84.76 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.257 -0.429 . . . . 62.35 111.342 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 52.0 tp -58.37 -45.98 87.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.31 -0.405 . . . . 74.15 111.226 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.1 -30.6 71.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.424 -0.353 . . . . 64.01 111.543 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.47 60.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.883 0.373 . . . . 75.44 111.922 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 61.1 mtp180 -62.49 -49.24 76.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.833 0.679 . . . . 74.51 112.833 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 88.9 m-85 -102.71 143.96 27.66 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.253 0.464 . . . . 75.4 112.253 -172.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 7.4 Cg_exo -73.45 61.99 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.156 2.571 . . . . 75.35 112.932 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.32 137.35 35.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.94 0.4 . . . . 64.33 111.179 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 p -68.79 152.84 44.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.484 -0.326 . . . . 64.2 110.782 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -49.08 -39.59 28.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.636 0.606 . . . . 75.02 112.636 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -64.92 -32.53 74.29 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.056 0.455 . . . . 64.23 111.703 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.466 ' O ' HG21 ' A' ' 65' ' ' VAL . 56.8 mt-30 -69.06 -42.84 75.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.277 -0.265 . . . . 54.13 111.429 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.91 -40.64 85.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.965 0.412 . . . . 74.44 110.617 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.66 84.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.075 -0.511 . . . . 64.23 111.07 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.35 -46.56 88.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.362 -0.381 . . . . 72.24 111.281 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 61' ' ' GLN . 71.9 t -57.08 -41.55 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.976 0.417 . . . . 72.41 111.094 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 66' ' ' ARG . 60.9 mtt180 -64.27 -40.55 96.2 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.989 175.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 31.0 t70 -62.15 -44.74 95.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.975 176.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.04 -44.92 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.862 0.363 . . . . 72.41 111.175 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.409 ' HB2' HG23 ' A' ' 40' ' ' ILE . 49.8 ttt180 -59.01 -40.42 84.89 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.0 0.429 . . . . 74.33 110.528 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -62.88 -48.05 80.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.097 -0.501 . . . . 71.32 111.197 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 41.8 mtp85 -59.12 -39.52 82.55 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.115 0.413 . . . . 74.32 112.115 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.77 -49.03 15.0 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.085 -0.578 . . . . 75.24 112.774 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 120.988 0.423 . . . . 72.53 111.346 178.698 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.262 0.468 . . . . 64.31 112.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.22 -43.46 74.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.686 0.279 . . . . 60.35 111.416 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.52 -47.08 87.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.173 0.511 . . . . 75.0 111.019 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.536 ' HB3' HD21 ' A' ' 64' ' ' LEU . 14.2 mmt180 -59.29 -38.9 81.34 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.828 -0.624 . . . . 73.43 111.433 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.43 -52.51 63.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.233 -0.439 . . . . 55.33 111.963 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.96 -21.48 60.01 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.847 0.314 . . . . 74.5 111.847 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.02 -47.95 40.52 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.13 0.49 . . . . 74.11 111.515 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.507 ' HG3' HD23 ' A' ' 64' ' ' LEU . 95.3 mmm -90.13 1.98 55.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.359 -0.382 . . . . 72.13 111.367 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt 53.65 74.2 0.33 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.615 0.721 . . . . 74.31 111.874 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mm -92.22 119.07 68.36 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 115.603 -0.726 . . . . 72.25 110.778 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HD2' HD21 ' A' ' 57' ' ' LEU . 66.3 Cg_endo -72.07 16.33 0.36 Allowed 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 122.929 2.419 . . . . 72.1 114.775 -174.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.415 ' CE2' HD13 ' A' ' 57' ' ' LEU . 37.2 p90 -148.94 147.61 24.67 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 120.644 0.259 . . . . 73.52 111.158 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.85 149.17 59.5 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.852 2.368 . . . . 75.21 114.172 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.541 ' HA ' HD13 ' A' ' 40' ' ' ILE . 53.4 p -67.94 -34.21 76.15 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.106 -0.497 . . . . 74.21 111.491 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.07 -46.42 65.15 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.195 0.522 . . . . 71.52 110.682 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -60.58 -39.63 88.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.887 -0.597 . . . . 73.14 110.963 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 37' ' ' THR . 69.9 mt -58.87 -28.28 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.797 -0.638 . . . . 72.14 111.715 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.16 -41.2 13.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.214 -0.448 . . . . 70.4 112.119 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -69.36 -30.03 67.95 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 74.4 112.042 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.04 127.1 70.66 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 120.897 0.379 . . . . 71.31 111.551 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.95 164.78 30.46 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.282 1.988 . . . . 72.05 112.018 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -48.42 -33.34 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.56 0.578 . . . . 72.43 112.56 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.94 -62.57 1.77 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.858 0.361 . . . . 71.33 111.206 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.08 -30.15 70.61 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.072 0.463 . . . . 74.42 111.568 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.417 ' CE1' HG12 ' A' ' 65' ' ' VAL . 82.0 t80 -59.69 -54.91 40.85 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.926 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.68 -29.11 67.85 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.911 0.386 . . . . 74.01 111.603 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -68.18 -47.31 68.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 72.35 111.238 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.91 -39.97 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.332 -0.395 . . . . 74.43 111.634 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.84 -30.47 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.469 0.544 . . . . 71.35 112.469 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.83 -7.06 56.86 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.16 0.429 . . . . 74.53 112.16 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -103.3 4.09 36.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.407 0.521 . . . . 74.13 112.407 -174.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -141.73 136.49 15.42 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.667 -0.242 . . . . 72.42 111.206 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.72 103.54 0.71 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.95 2.434 . . . . 70.23 113.03 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.429 HD21 ' HD2' ' A' ' 34' ' ' PRO . 96.4 mt -133.21 145.76 50.87 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.059 0.457 . . . . 74.23 111.427 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -81.31 157.61 25.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.513 -0.312 . . . . 72.21 110.611 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.41 -37.02 46.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.165 0.432 . . . . 72.42 112.165 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.3 m -63.14 -36.45 83.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.063 0.459 . . . . 74.03 111.062 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.1 mt-30 -72.58 -43.21 63.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.433 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.01 -45.39 92.93 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.19 -0.319 . . . . 74.42 111.446 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.72 63.99 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 61.32 111.197 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 27' ' ' ARG . 55.0 tp -67.61 -53.76 25.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.808 -0.633 . . . . 75.03 111.248 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.506 HG11 HD12 ' A' ' 40' ' ' ILE . 98.1 t -54.49 -39.94 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.037 0.446 . . . . 74.14 111.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -65.75 -35.23 80.15 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.805 0.336 . . . . 74.51 111.345 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 17.2 t70 -65.22 -48.74 72.29 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.932 0.396 . . . . 73.53 110.279 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -49.51 -50.91 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 115.915 -0.584 . . . . 73.42 111.369 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -58.28 -43.62 88.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.247 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -56.59 -36.4 69.34 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 111.977 0.362 . . . . 72.33 111.977 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 18.0 mmt180 -81.94 -62.91 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.257 0.551 . . . . 73.03 111.586 -176.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.79 -36.28 91.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 116.029 -0.532 . . . . 65.13 114.39 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 N--CA 1.471 0.585 0 O-C-N 122.401 -0.47 . . . . 72.32 111.974 -176.182 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 120.838 0.352 . . . . 75.12 111.783 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -58.48 -47.68 83.26 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.526 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -68.76 -34.04 74.9 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.608 0.242 . . . . 73.23 111.412 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -58.88 -44.67 91.17 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.154 0.502 . . . . 74.13 110.689 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.74 80.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.833 -0.621 . . . . 73.22 112.122 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.87 -21.59 54.72 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.578 0.584 . . . . 75.03 112.578 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.56 -46.97 44.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.016 0.436 . . . . 71.35 111.552 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.64 -11.77 58.97 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.199 -0.455 . . . . 73.03 111.059 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt 64.6 84.1 0.16 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.758 0.823 . . . . 74.24 112.135 -176.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.05 114.79 63.69 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 115.746 -0.661 . . . . 73.41 110.307 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -76.35 24.85 0.44 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 122.808 2.339 . . . . 73.42 114.467 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -155.52 153.39 26.38 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.799 0.333 . . . . 73.21 111.691 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.4 141.26 80.45 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.054 2.503 . . . . 73.1 113.881 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.413 ' HA ' HD13 ' A' ' 40' ' ' ILE . 47.8 p -66.62 -21.98 66.12 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.05 -0.523 . . . . 73.13 111.73 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -58.34 -58.2 9.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.894 0.378 . . . . 55.24 110.835 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.92 -35.84 35.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.057 -0.519 . . . . 74.22 111.828 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 37' ' ' THR . 63.0 mt -55.7 -44.41 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.27 0.557 . . . . 74.54 111.927 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.29 -20.09 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.154 -0.476 . . . . 73.44 111.948 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -80.16 -40.1 27.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -176.556 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.7 149.23 74.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.595 0.591 . . . . 72.41 112.595 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.98 172.93 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.582 2.188 . . . . 74.04 111.979 172.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -46.18 69.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 113.29 0.848 . . . . 74.03 113.29 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.3 -53.85 49.1 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.039 0.385 . . . . 72.3 112.039 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.97 -38.04 84.55 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.044 0.449 . . . . 74.44 110.919 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.66 -42.95 79.83 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.832 -0.622 . . . . 74.32 111.07 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.27 -46.68 85.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 71.22 111.136 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.0 mt-10 -61.12 -43.5 98.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.2 -45.7 53.85 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.213 -0.449 . . . . 74.53 111.427 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.44 -31.07 72.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.065 -0.516 . . . . 75.32 112.149 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.75 -33.93 19.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.443 0.535 . . . . 54.03 112.443 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.7 mtt180 -69.16 -36.32 77.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.841 0.353 . . . . 72.43 111.768 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -97.79 142.68 24.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.79 0.329 . . . . 64.52 111.622 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.47 89.61 0.33 Allowed 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.254 1.969 . . . . 54.53 112.011 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 89.2 mt -113.16 144.46 42.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.06 0.457 . . . . 75.51 112.195 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 p -89.52 162.66 15.58 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.3 -0.409 . . . . 74.05 110.484 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -49.93 -42.31 48.07 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.848 0.356 . . . . 70.44 111.691 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.444 -0.344 . . . . 75.05 111.795 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 mt-30 -69.84 -46.05 66.47 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.646 0.239 . . . . 73.33 111.646 178.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.7 mp -55.1 -41.97 72.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.026 0.441 . . . . 74.33 110.353 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.11 79.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.045 -0.525 . . . . 71.52 111.31 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.83 -41.21 90.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.845 0.355 . . . . 75.24 111.79 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.2 t -63.45 -44.57 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.698 0.285 . . . . 74.43 111.274 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 75.7 mtt-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.913 0.387 . . . . 74.04 110.629 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' CG ' HH12 ' A' ' 71' ' ' ARG . 33.9 t70 -59.1 -52.08 67.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.83 -0.623 . . . . 74.11 110.994 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.03 -44.08 95.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 121.076 0.465 . . . . 73.52 111.183 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -53.23 -43.24 67.13 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.797 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.5 -59.54 4.83 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.094 -0.503 . . . . 75.52 111.349 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.408 HH12 ' CG ' ' A' ' 67' ' ' ASP . 91.4 mtm-85 -58.91 -35.56 73.27 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.165 0.432 . . . . 75.25 112.165 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.13 92.9 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.898 -0.667 . . . . 75.32 113.402 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 112.644 0.609 . . . . 74.51 112.644 -178.067 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.661 0.267 . . . . 74.22 111.565 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.54 -41.64 73.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.922 0.391 . . . . 74.44 112.054 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.417 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 61.8 mtp180 -63.78 -35.59 81.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.641 0.258 . . . . 74.2 111.577 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.9 -36.38 83.14 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.078 0.466 . . . . 75.42 110.749 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 -53.05 50.79 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.244 -0.434 . . . . 74.34 111.755 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.4 pp -70.08 -24.09 63.18 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.012 0.375 . . . . 71.3 112.012 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.05 92.97 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.142 0.496 . . . . 60.31 110.916 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.477 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.7 mmm -96.06 8.22 44.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.921 -0.581 . . . . 75.44 111.443 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HZ3' ' HB3' ' A' ' 32' ' ' LYS . 7.3 mtpm? 56.78 69.92 0.7 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.647 0.61 . . . . 73.15 112.647 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.34 117.48 67.42 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 116.303 -0.408 . . . . 74.25 110.845 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.66 27.53 0.56 Allowed 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.92 2.414 . . . . 63.45 114.324 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -155.64 144.65 14.96 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 122.242 -0.286 . . . . 74.33 111.498 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.29 137.79 44.68 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.727 2.284 . . . . 74.11 113.78 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.544 ' HA ' HD13 ' A' ' 40' ' ' ILE . 60.2 p -63.64 -33.77 76.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.917 -0.583 . . . . 70.32 111.671 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.97 -49.84 38.64 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.262 0.553 . . . . 74.41 110.941 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.3 -42.09 99.07 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.888 -0.597 . . . . 73.35 111.182 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 37' ' ' THR . 73.8 mt -52.68 -42.92 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.342 0.591 . . . . 73.52 111.366 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.5 t -76.85 -33.63 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.928 -0.578 . . . . 72.45 112.097 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.511 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.8 OUTLIER -78.51 -33.34 48.11 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.571 0.582 . . . . 73.31 112.571 -176.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -69.13 147.6 97.54 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-O 121.002 0.43 . . . . 71.53 112.032 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.95 168.95 23.14 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.347 2.031 . . . . 72.01 111.713 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.62 -34.0 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 120.901 0.381 . . . . 74.32 111.735 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.49 -61.36 2.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.581 0.352 . . . . 73.5 111.597 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.96 -35.58 78.88 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.803 0.335 . . . . 70.22 111.773 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.26 -51.34 70.19 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.999 0.428 . . . . 75.51 111.433 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.24 -44.26 83.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.314 -0.403 . . . . 75.34 111.19 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 43.7 mt-10 -59.37 -46.6 88.22 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.078 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.84 -45.42 74.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.991 -0.549 . . . . 74.24 111.546 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.63 -30.41 70.68 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.304 0.483 . . . . 74.35 112.304 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.61 24.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.257 0.466 . . . . 72.12 112.257 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 90.4 mtt180 -69.71 -49.47 53.0 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -84.7 132.81 45.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 122.223 -0.298 . . . . 74.15 111.493 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.88 87.44 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.604 2.202 . . . . 73.2 112.826 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 81.6 mt -107.82 159.41 16.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.154 -0.475 . . . . 72.11 111.272 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.424 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 43.4 p -80.66 157.74 25.85 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.296 -0.261 . . . . 74.22 110.296 173.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.01 -37.46 45.28 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.847 0.356 . . . . 72.12 111.762 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -63.4 -41.54 98.74 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.404 -0.362 . . . . 74.52 111.49 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 55.3 mt-30 -64.67 -45.39 86.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.852 -0.158 . . . . 64.12 111.417 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.47 -42.0 86.5 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.904 0.383 . . . . 74.32 110.919 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.83 96.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.982 0.42 . . . . 72.34 111.175 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' ' 31' ' ' MET . 59.8 tp -56.76 -50.51 72.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.06 -0.518 . . . . 70.12 111.072 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 40' ' ' ILE . 73.1 t -56.4 -37.0 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.216 -0.447 . . . . 74.33 111.609 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -67.95 -36.98 81.02 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 122.156 -0.34 . . . . 74.42 111.267 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -66.29 -42.31 88.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.853 0.359 . . . . 65.02 110.421 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 37' ' ' THR . 76.7 mt -57.08 -46.61 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.095 0.474 . . . . 74.34 111.027 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -59.4 -45.05 92.58 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.137 0.494 . . . . 75.24 111.366 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -63.98 -48.65 75.59 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.135 -0.484 . . . . 74.23 112.046 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.402 ' NH2' HG12 ' A' ' 68' ' ' ILE . 23.1 ptt180 -76.88 -30.27 56.16 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.859 0.362 . . . . 73.12 111.759 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.12 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.171 -0.537 . . . . 72.01 112.794 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? . . . . . 0 CA--C 1.542 0.672 0 O-C-N 122.403 -0.469 . . . . 73.52 110.49 177.226 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 121.175 0.512 . . . . 70.42 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.2 -40.27 73.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.81 -0.632 . . . . 74.25 111.149 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -59.04 -40.77 86.08 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.369 -0.378 . . . . 75.04 111.174 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.3 -44.69 94.29 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.05 0.452 . . . . 73.24 110.785 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.05 -58.14 9.99 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.934 -0.576 . . . . 73.24 112.087 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.16 -28.25 69.28 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.796 0.295 . . . . 70.24 111.796 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.15 86.65 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.948 0.404 . . . . 71.31 111.266 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.529 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.4 mmm -99.18 11.65 38.44 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.362 -0.381 . . . . 72.33 111.321 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 56.11 48.21 18.04 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.606 0.595 . . . . 72.23 112.606 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.6 mm -75.74 119.67 78.16 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.814 -0.63 . . . . 72.21 110.924 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -82.52 29.27 0.55 Allowed 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 122.889 2.393 . . . . 54.41 114.496 -175.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -157.16 144.6 13.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 111.833 0.309 . . . . 75.45 111.833 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.79 147.83 81.63 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 123.176 2.584 . . . . 73.3 114.065 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.545 ' HA ' HD13 ' A' ' 40' ' ' ILE . 69.1 p -71.81 -35.16 69.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.854 -0.612 . . . . 71.51 112.506 -177.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -56.88 -42.56 80.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.893 0.378 . . . . 73.13 110.992 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -60.79 -48.95 79.49 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.405 -0.361 . . . . 73.43 110.475 176.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.545 HD13 ' HA ' ' A' ' 37' ' ' THR . 80.1 mt -48.98 -46.55 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.221 0.534 . . . . 64.43 111.784 177.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 60.6 t -70.84 -40.82 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.931 -0.577 . . . . 74.13 112.427 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -90.09 -2.83 58.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.1 0.778 . . . . 75.32 113.1 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 27.8 mt -75.37 145.41 79.65 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 122.168 -0.332 . . . . 72.24 111.217 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 33.8 Cg_exo -58.7 160.7 16.84 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.397 2.065 . . . . 74.14 112.035 171.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.86 -40.23 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 72.34 110.97 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -53.96 24.72 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.038 -0.528 . . . . 73.31 111.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.534 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -62.38 -32.31 73.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.677 0.275 . . . . 72.33 111.719 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.56 -50.12 73.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.962 0.411 . . . . 75.32 110.977 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.58 -40.59 95.3 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.349 -0.387 . . . . 64.41 111.062 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.3 mm-40 -55.5 -47.96 75.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.955 0.407 . . . . 73.24 110.647 172.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.6 tp -51.24 -53.69 32.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.94 -0.573 . . . . 75.1 111.611 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 65' ' ' VAL . 84.4 mt -68.45 -21.98 64.61 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.379 0.511 . . . . 64.24 112.379 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.72 -19.6 34.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.088 0.47 . . . . 60.13 111.502 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 83.4 mtt180 -94.17 -28.67 15.53 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.134 0.42 . . . . 73.23 112.134 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -100.88 115.96 64.66 Favored Pre-proline 0 N--CA 1.471 0.619 0 N-CA-C 111.72 0.267 . . . . 73.34 111.72 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.33 75.81 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.627 2.218 . . . . 73.32 112.974 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.1 mt -94.2 158.2 15.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.994 -0.548 . . . . 74.11 111.325 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -80.26 157.91 26.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.526 -0.306 . . . . 70.15 110.831 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -43.33 -55.75 3.9 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.99 0.737 . . . . 74.32 112.99 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.4 m -54.94 -32.69 61.54 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.562 0.578 . . . . 64.01 112.562 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.2 mt-30 -70.98 -45.87 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.587 0.217 . . . . 74.41 111.587 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.951 0.405 . . . . 74.21 110.588 176.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.14 73.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.088 -0.505 . . . . 63.15 111.113 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.529 HD22 ' HG3' ' A' ' 31' ' ' MET . 54.8 tp -71.21 -51.85 22.4 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.405 -0.361 . . . . 73.35 111.331 176.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.529 HG13 HD12 ' A' ' 40' ' ' ILE . 86.4 t -52.34 -45.2 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 112.206 0.447 . . . . 74.12 112.206 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -64.21 -35.29 80.33 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.898 0.38 . . . . 74.44 111.415 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 38.7 t70 -71.47 -36.34 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.757 0.313 . . . . 61.55 111.019 177.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 64' ' ' LEU . 75.3 mt -59.96 -44.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.75 0.31 . . . . 71.12 111.458 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.539 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 44.9 ttt-85 -58.87 -39.01 80.1 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.412 0.625 . . . . 72.5 110.207 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -64.95 -40.54 95.18 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.697 -0.683 . . . . 73.53 111.125 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 23.8 mtp180 -68.22 -28.06 66.91 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.917 -0.583 . . . . 71.54 112.105 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.1 -40.54 11.37 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.75 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.857 0.688 . . . . 71.2 112.857 -177.292 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.93 ' HB3' HH22 ' A' ' 71' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 111.705 0.261 . . . . 73.14 111.705 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -51.15 -46.91 62.17 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.871 0.367 . . . . 62.1 111.583 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -63.96 -35.55 81.05 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.922 0.342 . . . . 73.23 111.922 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -71.99 -37.46 69.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.843 0.354 . . . . 74.52 111.215 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -57.23 13.83 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 30' ' ' ALA . 3.9 pp -64.86 -26.28 68.26 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.456 -0.338 . . . . 74.02 111.836 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 29' ' ' LEU . . . -70.25 -43.24 70.94 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.947 0.404 . . . . 72.25 111.503 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.0 mmm -87.39 14.3 8.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.324 -0.398 . . . . 73.14 111.867 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 53.84 2.95 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.446 0.535 . . . . 74.11 112.446 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.48 112.37 55.09 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 116.628 -0.26 . . . . 72.44 110.458 174.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.09 -12.37 17.58 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.791 2.327 . . . . 75.22 114.441 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -113.9 144.17 30.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 120.801 0.334 . . . . 72.32 111.774 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.25 147.53 83.56 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.04 2.494 . . . . 73.52 114.023 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 40' ' ' ILE . 80.6 p -64.15 -33.23 75.31 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.74 -0.664 . . . . 74.31 112.107 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.93 -35.34 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.011 0.434 . . . . 64.42 111.487 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.4 ttmt -69.39 -42.64 74.85 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.939 0.4 . . . . 74.31 110.376 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.4 mt -55.1 -48.5 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 115.875 -0.602 . . . . 74.34 111.923 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.49 -35.77 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 112.624 0.602 . . . . 74.44 112.624 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.51 -2.68 58.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.638 0.977 . . . . 72.31 113.638 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 51' ' ' LEU . 79.2 mt -88.79 136.92 30.32 Favored Pre-proline 0 N--CA 1.473 0.681 0 O-C-N 122.048 -0.407 . . . . 75.22 111.285 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.26 170.65 19.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.632 2.221 . . . . 74.33 112.106 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.17 -46.51 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.555 0.576 . . . . 64.01 112.555 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 9.0 m-20 -62.38 -63.16 1.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.57 -33.84 66.54 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.851 0.315 . . . . 74.51 111.851 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -62.83 -52.22 63.98 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.36 -0.382 . . . . 73.21 111.399 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -61.53 -29.55 70.07 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.114 0.483 . . . . 71.24 111.193 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 46.1 mt-10 -72.84 -40.97 65.31 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.666 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 43' ' ' LEU . 49.5 tp -52.8 -48.01 67.19 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.083 0.468 . . . . 73.52 110.951 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -57.38 -37.44 72.67 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.987 -0.551 . . . . 73.34 111.772 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.32 -18.31 55.37 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.594 0.59 . . . . 60.23 112.594 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.8 mtp180 -89.18 -4.16 58.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.215 0.45 . . . . 74.35 112.215 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -129.7 137.48 31.01 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-O 120.593 0.235 . . . . 62.02 111.512 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.27 73.86 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.788 2.325 . . . . 43.41 112.63 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.03 149.77 24.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.153 0.502 . . . . 71.41 111.635 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.5 p -85.83 157.69 20.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.365 -0.38 . . . . 75.13 110.522 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.14 -36.9 20.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.101 0.477 . . . . 72.23 111.434 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m -63.3 -42.55 99.04 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.04 -0.527 . . . . 72.52 111.321 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 65' ' ' VAL . 52.8 mt-30 -65.91 -45.47 81.79 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.607 -0.269 . . . . 73.34 111.235 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.28 -35.73 72.22 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.904 0.383 . . . . 73.25 110.884 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.54 89.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.758 0.313 . . . . 61.1 111.095 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.57 -47.8 83.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.462 -0.335 . . . . 74.22 111.846 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 61' ' ' GLN . 58.6 t -56.49 -42.5 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.052 0.453 . . . . 72.51 111.116 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -66.89 -36.77 83.05 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.247 -0.433 . . . . 75.35 111.796 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.67 -50.03 74.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.276 0.56 . . . . 72.35 110.984 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.46 -42.9 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.816 -0.629 . . . . 74.03 111.312 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -39.44 93.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.628 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.99 -61.32 2.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.91 0.386 . . . . 74.24 111.24 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.93 HH22 ' HB3' ' A' ' 24' ' ' ASP . 47.1 mtm105 -66.57 -36.7 83.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.543 -0.299 . . . . 74.13 111.654 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.55 -49.08 76.84 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.417 -0.42 . . . . 62.3 112.96 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? . . . . . 0 CA--C 1.536 0.439 0 O-C-N 122.254 -0.556 . . . . 71.0 110.437 177.854 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 111.978 0.362 . . . . 72.23 111.978 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 43.5 mt-10 -51.78 -43.35 62.99 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.207 0.447 . . . . 75.41 112.207 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -53.16 -28.7 27.57 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.843 0.312 . . . . 74.52 111.843 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 8.9 mpt_? -85.5 -42.71 14.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.14 0.495 . . . . 73.54 110.851 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.12 -53.58 56.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.033 -0.531 . . . . 62.34 111.886 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 4.1 pp -68.41 -30.23 69.08 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.918 0.34 . . . . 74.3 111.918 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.449 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -63.22 -32.84 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.104 0.478 . . . . 74.11 111.271 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.599 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 95.6 mmm -98.85 -14.6 19.56 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.152 -0.476 . . . . 71.43 111.345 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 71.57 89.39 0.1 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.55 0.74 . . . . 74.13 112.091 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mm -106.77 118.45 54.26 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.699 -0.682 . . . . 72.32 110.939 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -78.65 18.75 0.93 Allowed 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.866 2.377 . . . . 73.44 114.661 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -149.18 146.56 21.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 121.961 -0.462 . . . . 74.53 111.68 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.04 150.85 84.86 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.923 2.415 . . . . 62.2 113.736 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.0 p -62.87 -35.95 81.68 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.622 -0.717 . . . . 75.33 112.737 -176.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.1 -43.71 95.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.942 0.401 . . . . 74.23 111.482 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -51.73 -42.04 61.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.287 0.565 . . . . 73.12 111.127 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.59 -43.1 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.603 -0.726 . . . . 75.0 112.654 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' A' ' 69' ' ' ARG . 42.6 t -88.47 -35.88 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 112.317 0.488 . . . . 73.43 112.317 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -79.71 -23.22 42.51 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.639 0.978 . . . . 75.2 113.639 -173.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.445 HD13 HD23 ' A' ' 51' ' ' LEU . 34.1 mt -66.45 142.54 97.76 Favored Pre-proline 0 N--CA 1.476 0.866 0 O-C-N 121.996 -0.44 . . . . 72.2 111.779 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 159.07 34.89 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.292 1.995 . . . . 43.31 112.044 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.41 -44.95 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 113.123 0.786 . . . . 74.32 113.123 -172.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.01 -55.54 33.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.939 0.4 . . . . 72.24 111.362 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.87 -25.03 68.09 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.487 -0.324 . . . . 75.45 111.866 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -67.92 -51.02 52.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.022 0.439 . . . . 74.32 110.809 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -60.99 -38.83 87.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.133 0.492 . . . . 74.31 110.786 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 55.2 mt-10 -73.54 -26.77 61.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.121 -0.491 . . . . 63.52 111.609 177.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD23 HD13 ' A' ' 43' ' ' LEU . 55.8 tp -52.69 -42.62 64.95 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.246 0.546 . . . . 75.13 110.68 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 mt -72.09 -18.86 61.88 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.54 -0.755 . . . . 72.23 112.02 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.53 -34.44 15.54 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.152 0.501 . . . . 72.03 111.671 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 96.6 mtt180 -74.62 -33.99 62.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.043 -0.526 . . . . 73.33 110.856 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -110.14 127.96 26.17 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.541 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.08 108.52 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.774 2.316 . . . . 65.14 113.325 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.17 148.91 52.06 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.031 0.443 . . . . 75.15 111.659 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -85.45 159.93 19.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.43 -0.35 . . . . 73.11 110.439 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.64 -50.04 7.53 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.387 0.884 . . . . 74.43 113.387 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 122.21 -0.306 . . . . 64.42 111.776 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.599 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 53.1 mt-30 -68.07 -40.65 82.69 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.586 0.232 . . . . 64.23 110.84 176.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.94 -44.04 97.82 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.17 0.51 . . . . 75.24 110.4 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.56 94.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.957 -0.565 . . . . 71.52 111.237 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.6 -50.14 72.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.245 -0.434 . . . . 74.42 111.449 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 61' ' ' GLN . 86.0 t -57.22 -44.68 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 120.978 0.418 . . . . 71.42 111.224 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.41 -27.69 68.72 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.824 0.345 . . . . 75.31 111.509 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 7.9 t70 -75.3 -44.69 44.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.88 0.371 . . . . 71.22 110.729 177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.76 -43.81 84.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.507 -0.315 . . . . 74.13 110.726 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.7 ttm180 -60.93 -37.25 81.64 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.644 0.259 . . . . 73.35 111.036 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 67' ' ' ASP . 30.7 ttm180 -60.51 -50.65 72.7 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.97 0.414 . . . . 74.24 111.01 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 24.9 mmm180 -67.53 -39.03 85.06 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.37 -0.377 . . . . 73.0 111.357 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -38.17 79.97 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.023 -0.608 . . . . 65.15 112.978 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 CA--C 1.535 0.4 0 O-C-N 122.63 -0.335 . . . . 75.13 110.971 177.397 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.54 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.2 m-20 . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 112.218 0.451 . . . . 74.43 112.218 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.3 -48.64 79.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.185 0.517 . . . . 63.12 110.446 171.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 22.3 mtm180 -66.06 -32.64 74.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.869 -0.605 . . . . 73.21 111.724 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.54 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 80.3 mtp180 -60.38 -45.17 94.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 74.44 110.161 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.02 -57.2 12.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.566 -0.743 . . . . 71.22 112.161 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.5 pp -64.76 -31.86 73.29 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.208 0.447 . . . . 64.23 112.208 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' HD11 ' A' ' 29' ' ' LEU . . . -64.27 -45.63 87.2 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.315 0.578 . . . . 73.03 110.851 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.532 ' HG3' HD23 ' A' ' 64' ' ' LEU . 95.6 mmm -81.16 0.9 34.28 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.319 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm 64.44 39.24 7.09 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.689 0.626 . . . . 73.45 112.689 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.75 118.89 62.1 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.293 -0.412 . . . . 72.43 111.09 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.31 24.75 0.72 Allowed 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 123.044 2.496 . . . . 74.24 114.939 -173.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -148.8 150.98 34.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 122.158 -0.339 . . . . 70.32 111.682 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.01 145.19 66.73 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 123.015 2.477 . . . . 74.41 114.255 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.493 ' HA ' HD13 ' A' ' 40' ' ' ILE . 67.5 p -70.55 -43.44 69.53 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.79 -0.641 . . . . 74.41 112.606 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.09 -45.44 61.49 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.747 0.308 . . . . 74.32 111.491 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -57.0 -49.33 76.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.677 0.275 . . . . 75.42 110.906 175.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 37' ' ' THR . 77.1 mt -47.85 -47.9 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.223 0.535 . . . . 75.2 111.76 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.485 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 46.6 t -68.49 -37.89 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.918 -0.583 . . . . 73.11 111.929 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -93.73 2.39 56.28 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.186 0.809 . . . . 70.33 113.186 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 33.5 mt -80.45 141.28 52.67 Favored Pre-proline 0 N--CA 1.471 0.612 0 CA-C-O 120.997 0.427 . . . . 73.44 111.98 174.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.4 159.09 55.01 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.508 2.138 . . . . 73.11 111.24 170.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.87 -33.49 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.04 0.447 . . . . 75.53 111.747 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.0 -63.23 1.21 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.263 -0.426 . . . . 74.13 112.067 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.12 -30.75 70.84 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.081 0.4 . . . . 62.11 112.081 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.84 -54.23 45.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.812 0.339 . . . . 75.12 111.754 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.46 -33.27 67.78 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.965 0.412 . . . . 63.12 111.543 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.16 -39.39 63.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.472 -0.331 . . . . 74.21 111.272 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.5 tp -52.65 -47.29 67.21 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.006 0.431 . . . . 74.23 111.172 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -55.2 -47.26 75.53 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.955 -0.566 . . . . 72.12 111.798 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.88 -15.73 61.59 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.42 0.526 . . . . 72.24 112.42 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -83.81 -10.95 57.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.238 0.459 . . . . 75.33 112.238 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -118.89 152.36 51.55 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 120.847 0.356 . . . . 74.11 111.841 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.81 46.91 2.03 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 122.956 2.438 . . . . 64.42 113.155 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 80.9 mt -76.35 149.4 36.99 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.144 0.497 . . . . 73.41 111.92 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.0 p -90.18 161.77 15.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.122 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -53.61 -22.78 9.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.018 0.377 . . . . 72.54 112.018 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.7 m -80.69 -38.21 29.35 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.189 0.518 . . . . 74.41 110.942 174.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 65' ' ' VAL . 94.0 mt-30 -69.86 -43.26 72.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.325 0.491 . . . . 75.44 112.325 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.21 -34.4 70.35 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.033 0.444 . . . . 74.31 110.892 175.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -50.06 67.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.28 -0.418 . . . . 37.0 110.943 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.532 HD23 ' HG3' ' A' ' 31' ' ' MET . 52.1 tp -57.81 -46.08 85.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.45 -0.341 . . . . 74.13 111.787 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 40' ' ' ILE . 93.2 t -56.77 -47.59 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.172 0.511 . . . . 50.33 111.348 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -71.39 -25.5 62.38 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.344 -0.389 . . . . 72.33 111.621 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.51 -56.86 6.16 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.885 0.374 . . . . 74.12 110.656 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.53 -36.77 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.234 -0.439 . . . . 75.3 111.007 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 36.7 ttt-85 -59.22 -41.92 89.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.067 0.46 . . . . 74.43 110.674 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.1 -48.13 74.77 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.176 0.512 . . . . 74.13 110.158 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -49.21 -34.44 14.8 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.655 -0.702 . . . . 73.32 112.112 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.03 -49.04 4.16 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.379 -0.439 . . . . 71.13 113.294 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 N--CA 1.471 0.607 0 O-C-N 122.316 -0.52 . . . . 73.03 111.999 -177.444 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.514 0.197 . . . . 74.24 111.35 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.34 -41.62 51.74 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.067 0.461 . . . . 61.4 111.202 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -61.81 -27.7 68.94 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.403 0.52 . . . . 73.42 112.403 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HB3' HD23 ' A' ' 64' ' ' LEU . 7.8 mpt_? -69.59 -44.67 70.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.104 0.478 . . . . 74.01 110.41 172.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -60.88 3.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.951 -0.568 . . . . 63.34 112.122 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -61.72 -26.05 67.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.276 0.472 . . . . 75.42 112.276 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.424 ' N ' HD13 ' A' ' 29' ' ' LEU . . . -70.59 -37.88 73.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 62.11 111.757 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.508 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.8 mmm -101.07 23.01 11.39 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.138 0.422 . . . . 72.31 112.138 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.57 36.6 19.8 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.352 0.501 . . . . 75.45 112.352 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -83.92 105.72 6.34 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 116.546 -0.297 . . . . 75.31 110.496 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.62 14.99 1.7 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.55 2.167 . . . . 73.32 114.616 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -132.62 143.42 48.65 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 122.015 -0.428 . . . . 74.5 111.625 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.73 150.97 79.36 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.112 2.541 . . . . 74.41 114.048 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.8 p -61.45 -28.81 69.54 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.3 -0.409 . . . . 72.04 111.714 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.35 -53.08 39.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 74.41 110.903 173.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -55.79 -43.81 77.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.978 -0.555 . . . . 74.24 111.267 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.74 -44.89 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 121.132 0.492 . . . . 73.03 111.935 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.19 -31.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 112.28 0.474 . . . . 74.23 112.28 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.438 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -77.77 -46.27 22.17 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.325 0.491 . . . . 75.14 112.325 -176.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.9 137.05 97.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.029 0.442 . . . . 75.52 112.188 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.99 171.77 15.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.519 2.146 . . . . 71.4 111.935 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.09 -30.93 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.944 0.402 . . . . 75.34 111.133 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.98 -62.55 1.58 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.964 -0.562 . . . . 72.24 111.283 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -70.25 -30.65 67.76 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.413 -0.358 . . . . 71.32 111.755 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -58.3 -48.74 79.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 74.1 111.373 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.31 -42.63 87.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.213 0.53 . . . . 70.44 111.399 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.0 mm-40 -72.05 -33.53 68.04 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.074 -0.512 . . . . 61.34 111.444 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.5 tp -59.45 -52.54 65.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.205 0.526 . . . . 73.51 110.49 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 65' ' ' VAL . 84.2 mt -63.64 -19.25 64.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.613 -0.722 . . . . 75.43 111.738 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.67 -32.12 18.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.888 0.329 . . . . 72.31 111.888 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 88.5 mtt-85 -72.01 -42.48 66.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.002 0.429 . . . . 63.15 111.491 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -86.19 143.37 36.9 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.391 -0.368 . . . . 74.42 110.922 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.87 43.4 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.912 2.408 . . . . 65.13 113.197 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.51 148.14 48.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.171 0.51 . . . . 72.13 111.744 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.1 p -92.1 161.76 14.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.078 -0.51 . . . . 70.43 110.353 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -47.77 -42.7 26.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.853 0.359 . . . . 73.14 111.957 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 m -57.39 -35.48 70.06 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.077 0.465 . . . . 74.04 111.412 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.5 mt-30 -77.36 -46.93 21.25 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.659 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.4 -46.13 80.28 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.852 0.358 . . . . 71.4 111.282 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.44 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.279 -0.418 . . . . 73.34 111.686 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 27' ' ' ARG . 57.8 tp -64.5 -46.63 82.12 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.727 0.298 . . . . 63.03 111.566 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -54.26 -37.01 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.083 0.468 . . . . 72.54 111.058 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -62.88 -47.62 82.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.323 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.79 -42.26 97.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.23 111.134 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.27 -45.55 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.306 -0.406 . . . . 74.32 111.326 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.6 ttt85 -60.42 -45.31 94.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.794 0.33 . . . . 72.45 111.722 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.11 -54.43 41.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.384 -0.371 . . . . 74.15 111.415 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 71' ' ' ARG . 44.2 mtp180 -69.68 -33.01 71.96 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.011 0.374 . . . . 74.52 112.011 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -49.29 52.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 121.203 -0.522 . . . . 74.0 113.137 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 CA--C 1.542 0.658 0 O-C-N 122.482 -0.422 . . . . 74.43 111.417 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 120.662 0.268 . . . . 40.03 111.307 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -53.8 -48.69 69.57 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.987 0.422 . . . . 60.44 111.297 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.8 -29.28 64.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.992 -0.549 . . . . 72.23 111.706 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HB3' HD13 ' A' ' 64' ' ' LEU . 90.9 mtt180 -78.24 -42.19 31.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.193 0.52 . . . . 63.3 110.822 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.37 61.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.891 -0.595 . . . . 73.41 111.867 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.55 -22.75 66.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.93 0.395 . . . . 75.04 111.933 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.17 63.53 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.918 0.389 . . . . 55.54 111.688 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.3 mmm -106.21 14.02 28.13 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 111.969 0.359 . . . . 73.34 111.969 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mttp 60.28 38.66 19.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.109 0.781 . . . . 74.14 113.109 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.7 mm -65.27 115.5 22.12 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 120.525 0.202 . . . . 72.04 110.878 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -86.25 21.89 1.02 Allowed 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.06 2.507 . . . . 65.32 114.568 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.436 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 33.6 p90 -147.08 154.36 46.39 Favored Pre-proline 0 N--CA 1.472 0.635 0 O-C-N 122.035 -0.416 . . . . 64.04 111.723 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 22.4 Cg_endo -59.63 137.38 76.97 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.225 2.617 . . . . 73.12 114.482 -173.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 -40.25 84.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.779 -0.646 . . . . 71.02 111.862 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.72 -36.16 66.91 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.965 0.412 . . . . 74.32 111.432 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.37 -41.34 98.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.776 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.55 -35.73 60.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.358 0.599 . . . . 74.12 111.212 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.71 -40.82 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 115.762 -0.654 . . . . 54.44 112.308 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -89.03 -17.6 29.03 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.35 0.87 . . . . 70.25 113.35 -170.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.47 136.3 45.89 Favored Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 121.909 -0.494 . . . . 74.1 111.144 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.3 157.34 62.25 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.017 1.811 . . . . 64.52 112.048 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.17 -32.53 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.112 0.482 . . . . 73.41 112.128 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.18 -55.93 28.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.169 -0.468 . . . . 72.31 111.83 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -30.17 64.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.392 -0.367 . . . . 74.02 111.312 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -53.26 -45.37 68.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.921 0.391 . . . . 71.43 111.431 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.56 -40.93 84.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.23 -0.441 . . . . 71.23 111.469 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 47.3 mt-10 -68.41 -40.15 81.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.931 0.396 . . . . 72.11 111.202 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.25 -46.9 76.05 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.103 0.478 . . . . 72.43 111.144 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.46 -31.09 71.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.968 -0.56 . . . . 64.54 112.067 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.34 -20.69 40.11 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.323 0.49 . . . . 72.34 112.323 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -83.92 -39.9 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.374 0.509 . . . . 63.03 112.374 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -95.64 131.6 29.08 Favored Pre-proline 0 N--CA 1.472 0.632 0 N-CA-C 112.34 0.496 . . . . 74.04 112.34 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.43 90.16 0.22 Allowed 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.654 2.236 . . . . 71.3 112.562 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 85.6 mt -114.04 148.86 36.31 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.068 0.461 . . . . 73.31 111.851 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.1 p -84.68 159.77 20.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.369 -0.378 . . . . 64.2 110.212 171.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -49.81 -37.7 31.46 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.974 0.416 . . . . 71.42 111.746 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 m -63.34 -37.35 86.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.217 -0.447 . . . . 62.34 111.479 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.9 mt-30 -72.6 -44.6 61.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.563 -0.29 . . . . 74.42 111.669 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.27 -42.99 74.27 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.628 0.251 . . . . 72.53 111.033 176.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.71 -48.44 66.63 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.876 0.37 . . . . 64.54 111.594 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 27' ' ' ARG . 68.6 tp -61.58 -49.83 75.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.551 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -55.66 -40.78 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.238 0.542 . . . . 73.24 111.244 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -61.71 -45.49 93.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.056 -0.52 . . . . 74.14 111.34 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.47 -46.14 87.55 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.404 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.0 -44.09 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.307 -0.406 . . . . 74.45 111.527 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -54.89 -50.91 67.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.938 0.399 . . . . 73.15 111.006 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -62.08 -49.84 74.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.211 -0.449 . . . . 74.44 111.747 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.67 -53.2 59.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.025 0.44 . . . . 74.15 111.313 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.17 96.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.123 -0.489 . . . . 72.5 113.407 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 1.7 tpmt? . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 120.793 0.33 . . . . 75.14 111.616 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 111.987 0.366 . . . . 70.21 111.987 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -48.54 -38.69 21.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.51 0.559 . . . . 55.03 112.51 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -52.21 -36.01 50.96 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.924 0.713 . . . . 75.31 112.924 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -37.43 47.39 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.749 0.309 . . . . 74.11 111.439 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -50.94 69.21 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.065 0.46 . . . . 74.21 111.781 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.27 -23.14 61.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.495 0.554 . . . . 73.14 112.495 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.5 33.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.878 0.371 . . . . 54.42 111.983 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.526 ' HG3' HD21 ' A' ' 64' ' ' LEU . 94.7 mmm -108.4 9.84 27.59 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 111.889 0.329 . . . . 65.3 111.889 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.46 72.19 0.54 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.179 0.514 . . . . 73.45 112.359 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 105.95 45.68 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.528 -0.305 . . . . 63.02 110.494 174.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.13 20.61 0.64 Allowed 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.833 2.355 . . . . 62.43 114.273 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -146.67 139.5 14.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-O 120.88 0.371 . . . . 61.42 111.161 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -62.36 141.53 87.61 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.89 2.393 . . . . 73.3 113.756 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.411 ' HA ' HD11 ' A' ' 40' ' ' ILE . 58.6 p -53.86 -33.62 56.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.158 -0.474 . . . . 73.33 112.014 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.42 -48.45 62.67 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.876 0.37 . . . . 74.43 111.406 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.85 -45.73 91.5 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.937 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.411 HD11 ' HA ' ' A' ' 37' ' ' THR . 68.6 mt -52.45 -36.24 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.143 -0.48 . . . . 75.35 112.269 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.63 -46.22 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.674 0.62 . . . . 74.41 112.674 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -78.29 -13.88 59.66 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.606 0.965 . . . . 71.43 113.606 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 43' ' ' LEU . 21.4 mt -65.48 145.63 99.04 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-O 121.055 0.455 . . . . 70.42 111.963 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.25 146.84 82.39 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.172 1.915 . . . . 72.34 111.089 168.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -49.19 -38.69 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 112.972 0.73 . . . . 70.23 112.972 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.12 -52.79 53.22 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.016 -0.428 . . . . 62.43 111.99 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.38 -23.85 67.59 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.752 0.31 . . . . 52.15 111.489 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -65.86 -50.61 63.92 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.891 0.377 . . . . 73.13 110.741 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.16 -36.69 82.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.768 0.318 . . . . 71.24 111.113 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.7 mm-40 -60.65 -46.97 88.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 74.01 110.849 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.5 tp -49.83 -52.75 30.02 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.141 -0.481 . . . . 74.0 111.571 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.79 -25.26 66.38 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.114 -0.493 . . . . 73.01 111.995 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.92 -13.83 43.64 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 111.914 0.339 . . . . 72.2 111.914 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 21.5 mtp180 -94.25 -48.16 6.3 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 111.901 0.334 . . . . 74.25 111.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -78.83 136.73 58.32 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.787 0.292 . . . . 72.12 111.787 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.89 47.61 2.39 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.019 2.48 . . . . 64.42 113.031 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -72.0 152.79 42.2 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.006 0.431 . . . . 64.24 111.638 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -81.37 159.64 24.31 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.361 -0.381 . . . . 75.15 110.97 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -49.24 -48.25 45.84 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.541 0.571 . . . . 74.44 112.541 -176.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -54.12 -33.59 58.17 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.761 0.315 . . . . 53.41 111.763 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -75.99 -46.16 30.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.377 -0.374 . . . . 73.22 111.685 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.52 -47.01 85.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.817 0.342 . . . . 74.21 110.954 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.91 -40.16 72.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.998 0.427 . . . . 71.53 111.31 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.526 HD21 ' HG3' ' A' ' 31' ' ' MET . 53.2 tp -62.83 -56.55 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.255 177.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.1 t -53.62 -44.31 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 120.919 0.39 . . . . 70.53 111.847 -178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -58.68 -35.73 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.361 -0.381 . . . . 74.25 111.576 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.3 -30.08 30.76 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.914 0.388 . . . . 60.13 111.345 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 64' ' ' LEU . 65.0 mt -62.35 -42.39 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 75.15 110.955 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -61.66 -34.96 76.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.945 0.402 . . . . 73.01 110.818 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -61.95 -59.91 4.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 70.41 111.441 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -66.92 -41.01 87.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.459 . . . . 75.22 111.272 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.39 97.48 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.829 -0.623 . . . . 51.52 113.209 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 CA--C 1.54 0.563 0 O-C-N 122.043 -0.68 . . . . 75.52 111.332 177.686 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 120.942 0.401 . . . . 64.14 111.573 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.77 -48.64 76.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.462 -0.336 . . . . 62.03 111.558 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -60.98 -28.58 69.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.854 0.359 . . . . 75.54 111.456 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.535 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 3.1 mmp_? -71.43 -40.23 70.54 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.07 0.462 . . . . 74.41 110.594 173.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . . . -61.99 -55.04 33.36 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.867 -0.606 . . . . 62.53 111.615 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.15 -21.03 65.83 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.219 0.452 . . . . 63.33 112.219 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.43 97.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.169 0.509 . . . . 71.51 110.842 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.3 mmm -92.65 9.11 36.22 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.099 -0.501 . . . . 65.22 110.809 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 54.66 65.64 1.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.616 -0.72 . . . . 72.43 112.561 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 47.4 mm -94.63 113.42 61.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.519 -0.764 . . . . 75.02 110.562 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.06 30.19 0.54 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.814 2.343 . . . . 71.24 114.527 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -152.27 151.67 27.92 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 111.825 0.306 . . . . 72.23 111.825 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -66.84 142.8 64.34 Favored 'Trans proline' 0 N--CA 1.484 0.956 0 C-N-CA 123.127 2.552 . . . . 73.04 114.229 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.5 ' HA ' HD13 ' A' ' 40' ' ' ILE . 79.6 p -65.88 -43.08 89.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.068 -0.514 . . . . 72.42 112.17 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 -40.39 76.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.327 0.491 . . . . 71.15 112.327 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.0 ttmt -60.46 -46.57 89.57 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.225 -0.297 . . . . 75.31 111.167 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 65' ' ' VAL . 64.7 mt -49.39 -41.15 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.437 0.637 . . . . 54.41 111.336 177.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' HA3' ' A' ' 72' ' ' GLY . 58.7 t -67.98 -33.88 63.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.468 -0.787 . . . . 75.23 112.454 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -93.65 -5.84 47.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.805 0.668 . . . . 73.35 112.805 -175.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 82.6 mt -80.24 142.34 54.81 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 111.672 0.249 . . . . 74.32 111.672 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.05 154.73 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.355 2.036 . . . . 73.34 111.415 172.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.3 -34.41 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 112.327 0.492 . . . . 64.21 112.327 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.54 -62.46 1.71 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.105 0.478 . . . . 63.45 111.446 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.27 -24.93 67.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.369 -0.378 . . . . 72.42 111.912 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.47 -47.96 79.63 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.132 0.491 . . . . 73.51 110.393 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.8 -45.81 92.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.992 -0.549 . . . . 75.42 110.87 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 28.1 mm-40 -60.07 -40.2 88.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.304 -0.407 . . . . 71.25 111.326 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.18 -51.46 69.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.95 0.405 . . . . 74.22 111.254 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.429 HD21 ' HG ' ' A' ' 62' ' ' LEU . 93.8 mt -65.32 -28.81 69.57 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.42 34.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.936 0.347 . . . . 72.23 111.936 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -65.55 -54.12 32.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.804 0.335 . . . . 73.12 111.354 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.25 135.67 47.21 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 116.456 -0.338 . . . . 73.31 111.161 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.32 50.52 2.3 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.753 2.302 . . . . 72.31 113.392 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 62.7 mt -75.35 140.49 43.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.674 0.274 . . . . 75.41 111.19 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.0 p -78.0 157.26 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.24 -0.287 . . . . 71.04 110.306 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.23 -34.5 10.3 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.539 0.57 . . . . 54.3 112.539 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -60.72 -43.92 97.26 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.026 0.441 . . . . 65.32 111.394 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.5 mt-30 -67.17 -42.76 83.71 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.322 -0.399 . . . . 54.31 111.183 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 7.3 mp -59.09 -42.66 90.97 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.624 0.25 . . . . 75.32 110.884 175.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.36 65.23 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.89 0.376 . . . . 63.34 111.606 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' ' 68' ' ' ILE . 64.7 tp -69.42 -51.7 33.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.463 -0.335 . . . . 72.32 111.142 175.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 40' ' ' ILE . 61.8 t -55.11 -44.67 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 120.935 0.398 . . . . 74.11 111.792 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 39.7 mtp-105 -57.19 -42.15 80.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.129 0.49 . . . . 72.21 110.983 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.39 -41.46 89.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.974 -0.557 . . . . 75.23 110.855 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 37' ' ' THR . 81.7 mt -56.11 -43.63 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.917 0.389 . . . . 72.3 111.471 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -58.45 -40.31 82.28 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.361 -0.381 . . . . 64.35 110.81 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -66.1 -41.94 89.92 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.784 0.326 . . . . 61.41 111.051 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -53.08 -51.21 62.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.861 0.465 . . . . 75.42 112.009 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.455 ' HA3' HG23 ' A' ' 41' ' ' VAL . . . -75.59 -44.49 20.77 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.126 -0.559 . . . . 63.14 113.541 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 N--CA 1.47 0.532 0 O-C-N 122.459 -0.436 . . . . 70.02 111.263 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 111.971 0.36 . . . . 73.05 111.971 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.07 -30.54 59.86 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.588 0.233 . . . . 60.44 111.57 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -58.86 -32.03 69.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.836 0.309 . . . . 75.1 111.836 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.2 mpt_? -74.33 -40.74 62.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.978 0.418 . . . . 71.31 110.398 174.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.12 82.32 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.97 -0.559 . . . . 54.12 111.628 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.13 -23.45 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.133 0.42 . . . . 74.13 112.133 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.7 88.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.424 . . . . 72.21 110.841 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.4 mmm -92.66 -2.98 55.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.252 -0.431 . . . . 75.55 111.403 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 61.73 82.04 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.605 0.717 . . . . 73.33 112.414 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.05 128.77 27.81 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 115.296 -0.866 . . . . 74.4 110.789 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -83.49 20.67 1.14 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.918 2.412 . . . . 75.5 114.714 -175.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -151.52 152.3 30.37 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 122.128 -0.357 . . . . 74.4 111.564 178.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.16 155.13 42.16 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.944 2.43 . . . . 63.55 113.944 -174.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.423 ' HA ' HD11 ' A' ' 40' ' ' ILE . 68.2 p -64.95 -34.56 78.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.687 -0.688 . . . . 73.04 111.87 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -55.27 -45.56 76.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.96 0.41 . . . . 74.35 111.376 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.84 -39.99 87.01 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.169 -0.469 . . . . 75.1 110.995 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 37' ' ' THR . 66.6 mt -59.37 -31.42 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.121 0.486 . . . . 74.41 111.62 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.45 -52.65 11.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 112.64 0.607 . . . . 75.51 112.64 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.3 -22.47 61.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.366 0.876 . . . . 74.41 113.366 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.46 139.5 86.77 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 122.029 -0.42 . . . . 63.41 111.272 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.72 160.58 47.56 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.0 1.8 . . . . 71.43 112.08 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.3 p -47.68 -37.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.515 0.561 . . . . 74.34 112.515 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.9 -62.25 2.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.806 0.336 . . . . 75.44 111.447 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 -25.9 64.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.344 -0.389 . . . . 62.15 111.737 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -67.75 -50.36 57.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.916 0.388 . . . . 74.42 110.876 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.05 -38.93 87.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.276 0.56 . . . . 73.43 110.753 176.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.41 -33.92 75.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.071 -0.513 . . . . 72.31 111.078 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.59 -45.56 77.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.496 0.665 . . . . 75.42 110.807 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.89 -27.16 68.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.364 -0.835 . . . . 74.4 111.875 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.52 21.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.319 0.489 . . . . 74.41 112.319 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -80.53 -42.27 22.74 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.115 0.413 . . . . 75.41 112.115 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -95.23 128.45 38.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 122.348 -0.22 . . . . 75.42 111.354 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.4 105.79 0.37 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.634 2.223 . . . . 75.21 112.845 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 88.7 mt -133.36 150.37 51.83 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.057 0.456 . . . . 74.43 111.542 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -82.54 157.4 23.54 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 73.42 110.382 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.63 -39.99 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.214 0.45 . . . . 73.32 112.214 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -61.6 -36.53 80.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.804 0.335 . . . . 75.42 111.501 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.487 ' O ' HG21 ' A' ' 65' ' ' VAL . 54.9 mt-30 -70.93 -43.04 69.05 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.502 -0.317 . . . . 74.23 111.352 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.85 -47.49 82.54 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.118 0.485 . . . . 73.21 110.651 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.86 78.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.025 -0.534 . . . . 74.01 111.629 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 27' ' ' ARG . 59.3 tp -62.89 -50.52 70.58 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.431 176.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 61' ' ' GLN . 92.9 t -52.85 -40.25 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.149 0.5 . . . . 72.21 111.409 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -61.85 -45.94 91.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.04 -0.527 . . . . 74.31 111.285 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.65 -40.95 84.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.031 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.79 -38.2 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.83 -0.623 . . . . 74.02 111.508 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -68.52 -40.13 80.9 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.107 -0.371 . . . . 75.45 111.307 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 1.2 tpm_? -58.65 -36.86 74.81 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.179 0.514 . . . . 74.03 110.554 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -68.75 -62.1 1.53 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.991 -0.55 . . . . 75.14 111.826 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.05 96.22 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 116.102 -0.499 . . . . 75.02 114.215 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 tptp . . . . . 0 CA--C 1.537 0.458 0 O-C-N 122.318 -0.519 . . . . 74.44 111.137 -178.05 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.044 0.45 . . . . 73.14 111.809 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.91 88.46 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.183 0.833 . . . . 73.51 115.183 -171.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.96 62.87 5.12 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.399 -0.593 . . . . 63.1 109.399 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.84 114.12 3.45 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.892 -0.594 . . . . 75.44 112.159 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -68.35 105.9 2.31 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.083 0.468 . . . . 61.31 110.84 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -71.14 156.76 39.21 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.198 -0.455 . . . . 72.13 112.103 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -134.91 139.36 44.91 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.009 0.433 . . . . 72.31 111.2 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.14 130.71 23.98 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.399 -0.364 . . . . 61.42 111.265 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 m -88.58 149.46 23.57 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.807 0.337 . . . . 64.51 111.297 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.47 140.92 36.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.053 0.454 . . . . 74.32 111.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.9 mtm -126.45 166.95 16.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.246 -0.434 . . . . 72.21 111.086 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.77 103.79 1.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.395 0.517 . . . . 62.3 112.395 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -106.75 123.43 38.64 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-N 116.367 -0.379 . . . . 62.2 110.815 178.163 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.51 113.41 1.99 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.674 2.249 . . . . 74.25 113.011 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 p -81.04 81.47 7.27 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.341 0.591 . . . . 61.31 111.085 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.98 102.28 4.76 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.066 -0.515 . . . . 52.02 111.981 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -119.41 166.85 12.55 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.044 0.45 . . . . 74.12 111.403 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.92 71.81 0.3 Allowed Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.382 -0.437 . . . . 72.4 112.134 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -107.39 157.42 17.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.18 0.514 . . . . 74.42 112.202 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.3 -16.42 24.73 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.117 -0.492 . . . . 64.13 111.289 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.76 7.44 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 116.297 -0.41 . . . . 63.14 113.455 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.519 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 29.4 t -78.46 147.0 34.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.919 0.39 . . . . 53.34 111.652 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 23' ' ' ARG . 31.8 ttp180 -52.64 -57.58 9.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.923 -0.58 . . . . 74.0 112.265 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.19 -25.74 67.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.894 -0.594 . . . . 72.3 111.97 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.519 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 41.4 mm-40 -58.01 -45.32 87.07 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.038 0.447 . . . . 73.02 110.968 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -66.91 -34.41 77.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.417 -0.356 . . . . 71.51 111.352 177.406 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.21 -50.02 75.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.396 0.617 . . . . 74.5 110.661 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -53.41 58.68 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 74.43 112.431 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.8 -24.17 64.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.549 0.574 . . . . 74.21 112.549 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -49.9 14.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.208 0.527 . . . . 75.25 111.252 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.527 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.9 mmm -83.05 0.89 42.81 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.307 -0.406 . . . . 74.43 111.317 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 62.68 62.92 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.626 0.727 . . . . 73.03 112.314 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 46.4 mm -95.3 125.03 51.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.619 -0.718 . . . . 73.35 110.613 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 1.1 Cg_endo -83.09 16.57 1.83 Allowed 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 122.872 2.382 . . . . 72.21 114.604 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE1' HD13 ' A' ' 57' ' ' LEU . 31.4 p90 -146.7 148.22 32.68 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 122.174 -0.328 . . . . 70.25 111.544 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.31 145.61 88.72 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.107 2.538 . . . . 75.35 114.364 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.702 -0.681 . . . . 71.15 112.496 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.68 -44.52 85.84 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.994 0.426 . . . . 75.2 111.461 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.5 -41.35 72.96 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.054 0.454 . . . . 73.33 111.015 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 56.3 mt -57.22 -35.45 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.381 0.61 . . . . 73.1 111.734 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.27 -45.25 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.196 0.522 . . . . 70.15 112.26 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -79.3 -25.71 42.36 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.313 0.857 . . . . 65.12 113.313 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.44 HD13 HD21 ' A' ' 51' ' ' LEU . 51.2 mt -71.82 145.79 89.84 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 111.985 0.365 . . . . 75.34 111.985 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.06 167.28 27.58 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.769 2.313 . . . . 73.13 112.286 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.39 -40.16 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 112.172 0.434 . . . . 72.13 112.172 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.59 -62.0 1.98 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.1 0.476 . . . . 70.41 111.549 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.08 -36.68 84.4 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.948 -0.569 . . . . 61.1 110.767 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.12 -49.94 74.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.846 0.458 . . . . 73.35 111.922 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.06 -48.85 75.28 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.053 0.454 . . . . 75.04 111.422 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.4 mt-10 -63.56 -39.01 93.3 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.328 -0.396 . . . . 63.04 111.358 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD21 HD13 ' A' ' 43' ' ' LEU . 61.8 tp -54.69 -42.96 72.05 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 71.01 110.726 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD23 HG13 ' A' ' 65' ' ' VAL . 63.3 mt -64.08 -54.62 31.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.445 0.64 . . . . 74.35 111.191 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.92 67.8 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.173 0.805 . . . . 64.1 113.173 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 81.5 mtp180 -76.91 -30.87 56.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.241 0.46 . . . . 74.13 112.241 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -101.23 137.88 19.8 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.067 0.395 . . . . 73.03 112.067 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.62 83.85 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.467 2.111 . . . . 61.53 112.808 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.426 HD13 ' CE1' ' A' ' 35' ' ' PHE . 91.6 mt -111.32 143.09 42.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.013 -0.54 . . . . 74.13 111.795 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.416 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 41.5 p -80.79 172.96 13.1 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.176 -0.466 . . . . 71.05 110.78 173.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.2 -31.17 72.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.902 0.382 . . . . 71.14 110.918 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -73.33 -42.47 62.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.061 -0.518 . . . . 63.21 111.294 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.497 ' O ' HG21 ' A' ' 65' ' ' VAL . 53.7 mt-30 -61.24 -48.97 79.01 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.763 0.315 . . . . 71.05 110.915 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.55 -40.7 72.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.404 -0.362 . . . . 73.23 111.489 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.67 81.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.867 0.365 . . . . 72.44 111.129 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.527 HD22 ' HG3' ' A' ' 31' ' ' MET . 49.9 tp -62.55 -48.13 80.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.346 -0.388 . . . . 74.22 111.452 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.497 HG21 ' O ' ' A' ' 61' ' ' GLN . 42.1 t -55.56 -42.71 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.078 0.466 . . . . 71.2 111.131 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -61.15 -34.96 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.118 -0.492 . . . . 73.14 111.839 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 28.3 t70 -76.27 -50.82 13.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.56 -0.291 . . . . 74.34 111.209 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -54.38 -43.51 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 120.694 0.283 . . . . 73.5 111.258 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.42 -45.2 35.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.287 0.565 . . . . 73.32 109.866 174.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -74.26 -39.35 63.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.758 -0.655 . . . . 73.43 111.779 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 22.4 mmt180 -58.84 -50.2 74.87 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.945 0.402 . . . . 74.04 111.545 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.55 85.75 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.709 -0.758 . . . . 42.1 112.331 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.38 -31.51 72.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.712 0.291 . . . . 73.5 111.381 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -58.68 -29.87 66.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.807 0.337 . . . . 73.25 111.386 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.72 -38.14 89.3 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.0 0.429 . . . . 75.52 110.368 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.07 -37.34 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 121.363 0.601 . . . . 74.43 110.235 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.52 -28.27 68.27 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.013 -0.539 . . . . 72.31 111.353 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.09 64.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.953 0.406 . . . . 74.15 111.156 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -90.45 -33.33 16.03 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.14 0.495 . . . . 64.45 110.964 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -98.39 26.3 5.58 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.83 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -75.71 129.72 37.54 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.146 0.498 . . . . 74.44 111.75 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -73.13 109.55 6.74 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.885 -0.598 . . . . 74.34 110.999 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -82.8 133.51 35.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.988 0.423 . . . . 73.13 111.613 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -153.82 177.17 11.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 72.34 110.238 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.0 133.19 31.38 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.011 0.434 . . . . 73.21 111.08 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 tp -85.43 118.3 24.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.832 -0.432 . . . . 72.2 109.832 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.21 96.9 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.256 0.55 . . . . 71.24 111.584 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.8 m -91.65 133.75 35.3 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.736 -0.666 . . . . 73.33 111.455 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -88.37 111.32 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 120.966 0.412 . . . . 73.43 111.1 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.28 157.22 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.923 0.392 . . . . 71.31 111.401 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 . . . . . 0 C--O 1.25 1.123 0 N-CA-C 111.951 0.352 . . . . 75.51 111.951 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.46 0.171 . . . . 64.0 111.19 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.05 -39.3 27.91 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.264 -0.493 . . . . 71.35 113.05 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -46.53 110.21 0.26 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.014 0.746 . . . . 72.12 113.014 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 67.72 11.79 8.54 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 112.737 0.643 . . . . 70.04 112.737 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.54 97.07 7.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.961 -0.462 . . . . 74.13 111.346 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -131.61 150.41 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.865 0.365 . . . . 73.34 111.39 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -90.97 179.42 5.76 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.392 0.615 . . . . 73.33 112.174 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -141.35 114.98 8.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.109 -0.496 . . . . 75.12 110.877 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -142.96 175.16 10.05 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.923 0.392 . . . . 61.34 111.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -158.28 148.82 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.286 -0.415 . . . . 64.22 111.225 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -106.86 136.42 46.73 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.88 0.372 . . . . 72.24 110.978 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.73 101.11 7.38 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.413 0.523 . . . . 70.32 112.413 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.6 125.02 91.46 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 112.31 0.485 . . . . 62.33 112.31 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -92.97 173.84 1.89 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.025 2.483 . . . . 65.21 112.664 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.1 p -126.48 128.88 47.63 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.836 0.351 . . . . 74.22 110.895 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.53 114.33 26.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.221 0.452 . . . . 74.31 112.221 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -133.63 98.74 4.28 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.855 0.359 . . . . 75.21 110.815 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.69 70.88 2.86 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.203 -0.522 . . . . 55.42 112.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -134.07 139.54 46.04 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.907 0.336 . . . . 70.11 111.907 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 179.16 142.22 0.12 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.793 0.437 . . . . 73.44 111.67 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.87 -67.36 0.76 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 121.321 -0.466 . . . . 71.21 113.229 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -111.69 170.44 8.13 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 122.473 -0.427 . . . . 73.42 111.591 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 36.6 ttm180 -57.09 -52.05 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.859 0.318 . . . . 75.52 111.859 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.614 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 14.7 m-20 -58.94 -27.91 65.76 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.219 0.452 . . . . 63.12 112.219 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.46 -26.08 64.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 120.821 0.343 . . . . 72.42 111.115 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 35.2 mmt180 -61.4 -42.15 98.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.789 0.328 . . . . 63.25 111.29 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 4.9 mpt_? -56.4 -42.51 78.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.308 -0.405 . . . . 73.4 111.474 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -58.04 8.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.306 -0.406 . . . . 73.35 111.976 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.453 HD13 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -65.33 -33.13 75.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.285 0.476 . . . . 73.53 112.285 -177.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.453 ' N ' HD13 ' A' ' 29' ' ' LEU . . . -65.5 -46.79 78.31 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.902 0.382 . . . . 75.41 111.595 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.545 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.6 mmm -89.11 4.29 48.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.415 -0.357 . . . . 75.5 111.737 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.592 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.7 mmpt? 61.9 31.1 18.27 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.595 0.591 . . . . 72.34 112.595 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.3 mm -57.5 117.23 17.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 122.342 0.257 . . . . 75.53 111.229 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.66 13.03 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 122.976 2.451 . . . . 73.4 114.839 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -145.45 149.3 40.33 Favored Pre-proline 0 N--CA 1.473 0.715 0 O-C-N 122.157 -0.339 . . . . 73.21 111.507 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.0 155.43 42.92 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.838 2.358 . . . . 64.44 114.315 -172.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -66.78 -41.33 87.83 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.529 -0.759 . . . . 73.14 112.235 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -48.28 59.63 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.341 -0.391 . . . . 70.21 111.847 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.9 ttmm -54.31 -52.41 61.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.362 -0.381 . . . . 72.1 111.131 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.6 mt -51.57 -40.33 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.879 -0.601 . . . . 75.51 112.305 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.97 -45.17 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 112.389 0.515 . . . . 74.03 112.389 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.25 -19.33 56.71 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.913 0.709 . . . . 72.13 112.913 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 HD13 HD23 ' A' ' 51' ' ' LEU . 40.3 mt -72.16 131.13 85.5 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 120.943 0.401 . . . . 75.35 111.539 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 164.86 29.99 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.208 1.939 . . . . 72.23 111.648 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.6 -37.29 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.288 0.477 . . . . 74.44 112.288 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.32 -63.98 1.08 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.862 0.363 . . . . 74.54 111.609 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.61 -28.38 68.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.797 0.295 . . . . 71.33 111.797 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.96 -57.86 10.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.991 0.424 . . . . 64.23 111.514 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.63 -33.94 76.74 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.487 -0.324 . . . . 73.31 111.717 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -35.58 76.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.754 0.312 . . . . 71.44 111.502 174.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.483 HD23 HD13 ' A' ' 43' ' ' LEU . 52.4 tp -58.67 -42.55 88.74 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 74.52 110.95 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.3 -20.24 65.95 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.918 -0.583 . . . . 74.35 111.877 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.13 -1.88 58.28 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.788 0.328 . . . . 74.43 111.874 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.65 -56.57 2.64 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.07 0.462 . . . . 74.51 111.756 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -94.44 146.28 31.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 116.07 -0.514 . . . . 64.03 111.825 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.61 109.29 2.6 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.567 2.178 . . . . 70.21 112.874 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.6 mt -129.9 145.0 51.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.903 0.383 . . . . 74.0 111.26 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -88.22 160.24 17.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.434 -0.348 . . . . 75.32 110.78 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.54 -34.04 10.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.237 0.458 . . . . 74.53 112.237 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -68.41 -41.29 80.63 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 73.4 111.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.504 ' O ' HG23 ' A' ' 65' ' ' VAL . 55.9 mt-30 -66.51 -42.9 86.61 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 111.804 0.298 . . . . 74.01 111.804 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.02 -38.76 76.8 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.341 . . . . 72.24 111.209 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.4 86.13 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.013 0.435 . . . . 41.44 110.951 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.545 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.4 tp -59.99 -43.64 95.04 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.048 -0.524 . . . . 74.4 111.924 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.8 t -55.15 -41.43 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 120.914 0.388 . . . . 70.24 111.181 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 66' ' ' ARG . 27.7 mtm-85 -69.69 -38.49 77.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.86 0.362 . . . . 74.53 111.153 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.0 -50.56 72.35 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.226 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.09 -46.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.296 0.57 . . . . 73.3 110.959 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.49 -36.72 62.01 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.756 -0.656 . . . . 75.15 111.475 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -71.31 -49.36 43.43 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.75 0.278 . . . . 74.55 111.75 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -58.92 -54.76 43.46 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.881 0.372 . . . . 73.34 111.784 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.94 -35.01 62.42 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.027 -0.606 . . . . 75.34 113.093 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -90.63 -21.5 21.66 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.724 0.297 . . . . 74.02 111.772 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -59.84 -36.79 77.55 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.081 0.467 . . . . 73.15 110.896 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -59.26 -47.22 86.16 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.761 -0.654 . . . . 71.54 110.721 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.85 -0.614 . . . . 74.24 111.223 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.39 99.43 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.386 -0.37 . . . . 72.54 111.851 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.11 -54.9 41.73 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.381 0.511 . . . . 74.04 112.381 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HG3' ' ND2' ' A' ' 80' ' ' ASN . 10.6 pt20 -59.48 -26.17 65.03 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.436 0.532 . . . . 73.34 112.436 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.487 ' ND2' ' HG3' ' A' ' 79' ' ' GLN . 46.9 m-80 -103.86 1.13 31.08 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.243 0.46 . . . . 72.44 112.243 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -71.34 133.83 46.29 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.693 0.283 . . . . 74.24 111.483 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -162.55 143.22 9.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.968 0.413 . . . . 75.14 111.262 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -78.03 95.88 4.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.986 0.422 . . . . 75.01 111.909 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 4.5 mpt_? -80.47 58.48 3.18 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.388 0.613 . . . . 74.42 110.124 171.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 85' ' ' LYS . 24.5 mtpp 56.24 40.17 30.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.512 -0.767 . . . . 70.12 112.548 -174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.1 mp -74.41 73.2 1.88 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.073 0.463 . . . . 74.32 110.091 171.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.7 154.08 21.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.035 0.445 . . . . 70.22 111.263 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -74.22 92.78 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.298 0.571 . . . . 74.32 111.921 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.2 mm -89.47 -41.61 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.763 0.792 . . . . 61.01 109.635 172.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -77.78 88.31 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.56 -0.746 . . . . 72.24 110.365 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.965 -0.541 . . . . 73.44 111.993 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.531 0.205 . . . . 74.24 110.578 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.65 110.29 3.43 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.226 -0.511 . . . . 64.11 113.742 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -121.64 117.07 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.861 0.464 . . . . 71.32 111.134 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 66.03 2.43 2.25 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.861 0.689 . . . . 63.42 112.861 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.28 114.53 21.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.835 0.35 . . . . 73.34 111.274 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -153.08 167.84 27.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.967 0.413 . . . . 73.41 111.419 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -75.79 135.1 40.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.045 0.45 . . . . 70.24 111.872 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -141.14 134.43 29.6 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.042 -0.526 . . . . 71.0 111.211 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.4 m -150.51 178.29 9.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.001 0.429 . . . . 71.55 112.15 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -120.6 129.8 53.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.394 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.44 166.32 32.3 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.6 -0.273 . . . . 55.32 111.123 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.9 157.17 34.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.371 0.508 . . . . 71.45 112.371 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -91.77 142.93 27.13 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.241 -0.436 . . . . 65.44 111.487 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.22 109.03 2.62 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.571 2.181 . . . . 72.04 112.409 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.8 t -111.39 173.08 6.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.879 0.371 . . . . 73.21 111.482 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.34 176.84 9.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.949 0.404 . . . . 74.1 111.865 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -65.4 141.19 58.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.068 0.461 . . . . 75.1 112.131 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.48 81.4 0.31 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.856 -0.611 . . . . 60.33 112.394 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.63 -169.6 2.55 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.965 0.357 . . . . 75.02 111.965 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.56 168.69 20.63 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.151 0.426 . . . . 54.2 112.151 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.01 -100.11 0.15 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.274 -0.488 . . . . 73.04 112.599 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -78.23 134.26 37.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.345 -0.503 . . . . 74.24 110.63 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -58.99 -30.93 68.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.041 0.385 . . . . 71.25 112.041 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' HB2' HG22 ' A' ' 37' ' ' THR . 0.8 OUTLIER -64.84 -50.56 66.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.613 -0.267 . . . . 60.32 110.717 172.671 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -55.03 -39.15 68.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.849 0.357 . . . . 64.11 111.253 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -60.13 -40.14 88.75 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.78 0.324 . . . . 75.25 110.345 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -58.15 -46.73 85.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.224 0.535 . . . . 73.12 110.917 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.764 -0.653 . . . . 73.41 111.991 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.56 -27.34 65.05 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.193 0.442 . . . . 72.43 112.193 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.63 71.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.875 0.369 . . . . 75.52 111.789 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.541 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.8 mmm -99.59 6.27 45.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.454 -0.339 . . . . 72.22 111.508 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 56.64 74.53 0.4 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 74.3 112.435 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -103.81 118.15 58.02 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.773 -0.649 . . . . 64.21 110.634 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.45 24.96 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 122.784 2.323 . . . . 62.14 114.307 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.3 143.54 12.99 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.653 0.263 . . . . 74.34 111.364 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.68 155.98 61.84 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.902 2.401 . . . . 73.21 113.915 -175.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.497 HG22 ' HB2' ' A' ' 24' ' ' ASP . 70.4 p -63.64 -41.44 98.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.718 -0.674 . . . . 73.25 112.366 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.02 -41.63 47.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.807 0.337 . . . . 63.14 111.537 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.81 -46.36 88.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.04 0.448 . . . . 65.44 110.696 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -53.41 -38.52 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.984 -0.553 . . . . 73.21 112.169 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG22 ' HA ' ' A' ' 69' ' ' ARG . 41.4 t -87.66 -43.21 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 112.586 0.587 . . . . 73.54 112.586 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -86.89 21.0 2.39 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.418 0.896 . . . . 74.21 113.418 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 51' ' ' LEU . 58.5 mt -103.96 140.19 20.82 Favored Pre-proline 0 N--CA 1.471 0.62 0 O-C-N 122.244 -0.285 . . . . 75.41 111.078 170.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.87 154.39 70.09 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 121.87 1.713 . . . . 74.04 111.699 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -48.22 -39.67 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 113.222 0.823 . . . . 73.54 113.222 -174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -55.06 27.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.95 0.405 . . . . 65.41 111.604 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.9 -20.03 66.08 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.051 0.389 . . . . 72.14 112.051 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.99 -46.95 69.88 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.874 0.369 . . . . 73.44 110.403 173.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.71 -41.92 91.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.137 0.494 . . . . 64.24 110.437 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 20.4 mm-40 -55.51 -50.6 69.54 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.866 -0.606 . . . . 74.23 111.307 172.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 HD23 HD13 ' A' ' 43' ' ' LEU . 57.6 tp -48.83 -48.49 41.62 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.012 -0.54 . . . . 71.44 111.698 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.93 -42.17 97.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.0 0.428 . . . . 73.14 111.93 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.68 58.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.323 0.49 . . . . 74.34 112.323 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.5 mtt180 -76.62 -27.94 55.91 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.651 0.612 . . . . 62.54 112.651 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -109.44 139.33 21.02 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 122.291 -0.256 . . . . 71.43 111.496 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.25 104.99 0.95 Allowed 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.725 2.283 . . . . 74.23 112.848 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.24 141.82 50.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.91 0.386 . . . . 75.32 111.645 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 44.0 p -83.83 163.64 19.99 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.701 -0.227 . . . . 74.42 110.498 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.12 -47.72 12.16 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.064 0.459 . . . . 75.34 111.956 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 m -64.76 -33.44 75.99 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.177 -0.465 . . . . 73.51 112.05 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.485 ' O ' HG23 ' A' ' 65' ' ' VAL . 49.6 mt-30 -68.63 -42.02 78.64 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 122.402 -0.186 . . . . 75.43 111.267 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.21 -42.9 99.41 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.86 0.362 . . . . 65.11 110.87 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.71 85.19 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.015 0.436 . . . . 74.43 111.046 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.541 HD22 ' HG3' ' A' ' 31' ' ' MET . 55.8 tp -59.32 -50.59 73.42 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.329 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 61' ' ' GLN . 88.3 t -54.06 -42.37 54.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.898 0.38 . . . . 71.43 111.426 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -61.11 -42.59 98.81 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.375 -0.375 . . . . 73.21 111.538 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.82 -34.91 74.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.891 0.377 . . . . 70.44 111.04 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 64' ' ' LEU . 68.5 mt -62.7 -43.7 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.674 0.273 . . . . 73.34 111.025 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.521 ' HA ' HG22 ' A' ' 41' ' ' VAL . 13.3 ttm180 -63.51 -43.03 98.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.981 0.42 . . . . 73.23 110.855 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -56.93 -42.13 79.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.065 -0.516 . . . . 75.04 111.273 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -73.26 -48.11 37.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.17 0.509 . . . . 75.32 111.551 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.43 -35.28 90.79 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 116.152 -0.477 . . . . 72.01 113.231 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.583 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -62.52 -35.61 79.97 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.693 0.282 . . . . 74.23 110.771 177.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -77.06 -31.99 56.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.914 0.388 . . . . 74.23 110.644 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -60.62 -63.85 1.16 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 73.5 111.164 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.99 -26.91 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.187 -0.461 . . . . 73.14 111.41 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 73' ' ' LYS . . . -55.41 -25.89 38.48 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.881 0.326 . . . . 74.42 111.881 177.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.77 -30.26 31.95 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.199 0.444 . . . . 72.52 112.199 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.74 -30.36 65.52 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.989 0.423 . . . . 75.33 111.7 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -126.54 20.1 7.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.915 0.339 . . . . 74.41 111.915 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -73.13 124.51 25.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.979 0.418 . . . . 73.44 111.593 -176.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -65.52 144.42 57.02 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.892 -0.594 . . . . 74.22 111.887 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.696 ' HZ2' ' HB2' ' A' ' 83' ' ' LYS . 10.5 mtmp? -71.54 108.22 4.82 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.084 0.772 . . . . 75.41 113.084 -172.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 68.82 10.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.554 0.692 . . . . 74.33 110.2 169.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -154.81 110.19 3.1 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.447 -0.797 . . . . 75.33 111.432 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -92.86 170.68 9.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.783 0.325 . . . . 65.13 110.946 175.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.9 95.97 0.17 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.018 0.437 . . . . 62.4 111.053 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 p -75.96 92.1 3.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.429 0.633 . . . . 75.43 110.643 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.7 pt -58.46 103.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.367 -0.833 . . . . 72.24 112.309 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.65 127.08 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.976 -0.556 . . . . 73.33 111.589 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.827 -0.606 . . . . 71.34 110.983 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.642 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 120.606 0.241 . . . . 72.43 110.735 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.5 63.56 0.48 Allowed Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.825 -0.702 . . . . 54.13 114.105 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -77.11 93.19 3.85 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.53 -0.544 . . . . 74.32 109.53 173.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -97.99 142.47 29.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.95 0.722 . . . . 65.31 112.95 -169.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -152.22 158.28 42.64 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.929 -0.578 . . . . 72.41 110.604 175.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -172.17 130.5 0.61 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.701 0.286 . . . . 64.13 110.72 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -84.07 134.63 34.6 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.931 0.715 . . . . 74.14 112.931 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -121.17 113.45 20.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.455 -0.793 . . . . 74.4 109.929 175.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 t -155.64 167.09 31.53 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.615 0.598 . . . . 71.13 112.615 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -143.14 166.87 23.48 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.855 -0.611 . . . . 75.41 110.996 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 95.6 mmm -86.34 152.33 22.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.131 0.491 . . . . 75.25 112.14 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.84 143.64 26.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.13 -0.486 . . . . 63.23 111.744 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -129.47 140.98 40.23 Favored Pre-proline 0 N--CA 1.474 0.748 0 CA-C-N 116.507 -0.315 . . . . 75.23 111.509 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.19 -179.98 5.95 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.84 2.36 . . . . 73.41 113.332 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.9 m -150.97 135.58 17.15 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.459 -0.337 . . . . 75.21 111.286 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.96 96.69 3.26 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.106 0.479 . . . . 54.21 111.982 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 5.6 tpm_? -101.76 88.71 3.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.104 0.478 . . . . 73.32 110.663 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.05 79.23 1.93 Allowed Glycine 0 CA--C 1.524 0.621 0 CA-C-N 116.175 -0.466 . . . . 73.32 113.735 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.26 102.37 10.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.883 0.373 . . . . 64.3 110.728 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.41 147.73 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.385 0.513 . . . . 52.3 112.385 -173.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.8 -36.09 1.45 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.908 -0.587 . . . . 45.5 113.185 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.9 p -98.77 167.4 10.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.205 0.526 . . . . 63.14 111.824 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -70.49 -34.69 72.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.045 -0.525 . . . . 75.44 111.171 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.8 -45.22 82.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.274 0.559 . . . . 71.44 110.538 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.11 -35.9 80.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.924 -0.58 . . . . 73.11 111.539 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 33.3 mmt180 -61.8 -39.69 92.59 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.683 0.278 . . . . 72.35 111.403 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.404 ' HB3' HD23 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.79 -44.13 86.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.17 0.509 . . . . 75.21 110.557 171.033 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.495 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -55.6 -57.85 10.24 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.768 -0.651 . . . . 73.13 112.29 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -63.4 -29.46 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.009 0.374 . . . . 70.4 112.009 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -68.7 -40.78 79.85 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.122 0.487 . . . . 75.53 111.316 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.537 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 96.2 mmm -86.78 -10.62 53.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.182 -0.463 . . . . 73.2 111.238 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 mttp 76.32 63.66 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.672 0.789 . . . . 72.12 112.078 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.495 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.2 mm -95.5 117.88 66.4 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 115.601 -0.727 . . . . 75.04 110.739 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.2 8.67 4.23 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.747 2.298 . . . . 74.34 114.82 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE2' HD11 ' A' ' 57' ' ' LEU . 22.7 p90 -134.53 150.35 73.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 122.035 -0.416 . . . . 74.33 111.888 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.82 154.81 63.34 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.05 2.5 . . . . 75.03 114.419 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.539 ' HA ' HD13 ' A' ' 40' ' ' ILE . 66.3 p -67.7 -39.95 84.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.655 -0.702 . . . . 72.41 112.319 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.13 -50.84 63.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.923 0.392 . . . . 72.35 111.689 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -58.07 -44.57 87.58 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.396 -0.365 . . . . 71.14 111.139 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.539 HD13 ' HA ' ' A' ' 37' ' ' THR . 82.9 mt -49.65 -48.9 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.186 0.517 . . . . 72.34 111.769 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 57.9 t -69.46 -39.76 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-N 116.088 -0.505 . . . . 63.44 111.91 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.514 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -76.48 -27.46 56.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.099 0.777 . . . . 74.32 113.099 -174.031 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD13 HD23 ' A' ' 51' ' ' LEU . 66.9 mt -68.78 130.67 91.59 Favored Pre-proline 0 N--CA 1.473 0.68 0 N-CA-C 112.011 0.374 . . . . 74.0 112.011 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.45 -178.56 1.9 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.669 2.246 . . . . 65.32 112.953 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 p -54.14 -57.13 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 113.882 1.067 . . . . 71.31 113.882 -171.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.14 -49.11 71.17 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.88 -0.512 . . . . 74.43 111.792 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.73 -35.04 75.35 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.912 0.386 . . . . 75.22 111.406 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.417 ' CE1' HG12 ' A' ' 65' ' ' VAL . 88.9 t80 -61.46 -50.14 74.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.168 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.93 -40.32 88.5 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.953 0.406 . . . . 74.44 110.957 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 29.9 mm-40 -57.71 -49.0 77.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.288 -0.414 . . . . 75.32 111.193 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.498 HD23 HD13 ' A' ' 43' ' ' LEU . 47.2 tp -51.38 -45.96 62.62 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.026 0.441 . . . . 74.03 111.173 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.91 -36.51 84.62 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.961 0.41 . . . . 73.23 111.845 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.38 -19.53 46.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.525 0.565 . . . . 73.41 112.525 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 68.6 mtt180 -94.34 3.42 55.23 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.692 0.627 . . . . 75.11 112.692 -175.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -132.33 148.72 70.84 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.894 0.378 . . . . 74.54 111.802 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.97 85.65 1.34 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.332 2.021 . . . . 62.44 112.3 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD11 ' CE2' ' A' ' 35' ' ' PHE . 76.8 mt -117.07 131.31 56.95 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.061 -0.518 . . . . 75.15 111.543 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.9 p -68.62 155.74 39.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.956 0.407 . . . . 74.53 111.209 174.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -47.32 -44.32 23.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.832 0.679 . . . . 72.41 112.832 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -65.19 -34.42 78.32 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.015 0.436 . . . . 65.24 111.712 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.537 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 52.6 mt-30 -62.05 -44.99 95.51 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.469 -0.332 . . . . 75.14 111.395 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.537 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 mp -59.75 -44.48 93.79 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.852 0.358 . . . . 71.32 110.582 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.18 74.13 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.992 0.425 . . . . 74.43 111.736 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 HD23 ' HB3' ' A' ' 27' ' ' ARG . 67.8 tp -66.07 -53.27 40.35 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.116 -0.493 . . . . 73.31 110.976 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.507 HG11 HD12 ' A' ' 40' ' ' ILE . 71.2 t -53.29 -37.95 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 116.209 -0.45 . . . . 74.2 111.985 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 26.7 mtp180 -63.81 -39.82 95.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.886 0.374 . . . . 75.13 111.368 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.477 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 30.9 t70 -67.68 -43.92 79.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.512 -0.313 . . . . 74.31 110.653 176.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.74 -42.66 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.032 0.444 . . . . 63.23 111.503 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 55.7 ttp180 -62.13 -50.2 72.82 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.444 -0.344 . . . . 72.0 111.537 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.477 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 29.8 ptt180 -69.67 -28.33 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 111.65 0.241 . . . . 74.33 111.65 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -68.93 -50.66 47.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.824 0.345 . . . . 75.21 111.103 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.89 95.71 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.965 -0.636 . . . . 61.23 112.698 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -65.15 -26.95 68.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.768 0.284 . . . . 71.31 111.768 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -53.21 -30.6 38.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.893 0.378 . . . . 73.33 111.355 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.702 ' HZ2' ' HB2' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -58.55 -47.49 84.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.223 0.535 . . . . 65.4 110.493 175.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.47 -35.36 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 115.767 -0.652 . . . . 73.12 111.174 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.11 78.89 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -47.67 57.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.952 0.405 . . . . 74.12 111.845 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.45 -35.7 80.95 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.976 0.417 . . . . 74.4 111.495 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -93.29 18.61 9.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.074 0.398 . . . . 71.34 112.074 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -61.39 112.64 2.26 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.767 0.318 . . . . 73.12 110.699 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.24 102.48 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.051 0.453 . . . . 75.33 111.457 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -111.7 101.89 10.23 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.094 0.473 . . . . 74.41 110.925 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -161.27 122.0 2.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.024 -0.535 . . . . 72.34 110.636 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -77.11 81.21 3.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.274 0.559 . . . . 75.31 110.091 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.43 144.26 56.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.011 -0.541 . . . . 74.03 110.026 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -85.46 98.57 10.67 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.247 0.546 . . . . 74.42 111.555 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -76.94 90.48 3.54 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.921 -0.581 . . . . 71.34 110.969 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.8 125.47 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.223 -0.444 . . . . 74.34 111.494 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.55 128.03 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 120.821 0.344 . . . . 74.44 110.769 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--O 1.253 1.259 0 N-CA-C 112.131 0.419 . . . . 64.14 112.131 -178.835 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.587 0.232 . . . . 74.4 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.89 -47.45 3.32 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.245 -0.502 . . . . 52.43 113.409 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -54.5 117.61 3.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.065 0.459 . . . . 64.33 111.083 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.71 -26.23 61.46 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.738 1.384 . . . . 74.31 114.738 -164.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -139.45 11.0 2.52 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.531 0.938 . . . . 74.33 113.531 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 6' ' ' HIS . 52.0 t-80 48.43 30.34 2.34 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.282 0.845 . . . . 70.12 113.282 168.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -69.47 94.99 0.78 Allowed 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.588 -0.695 . . . . 74.34 112.383 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -141.36 150.75 42.83 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.392 -0.367 . . . . 61.02 110.407 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 p -62.72 91.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.376 0.608 . . . . 75.22 111.242 176.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -81.16 -29.03 34.79 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.791 -0.64 . . . . 75.23 110.921 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.664 ' N ' ' SD ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -112.38 165.15 12.46 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.741 -0.663 . . . . 74.53 112.136 -176.04 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.36 25.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 71.54 112.878 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt 68.52 132.19 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.925 0 N-CA-C 112.434 0.531 . . . . 74.54 112.434 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.43 86.22 1.59 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.565 2.177 . . . . 72.53 112.418 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.2 m -77.86 85.54 4.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.303 0.573 . . . . 72.41 110.555 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.34 112.06 23.87 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.229 -0.442 . . . . 72.54 111.841 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -108.94 114.92 29.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.448 -0.342 . . . . 74.32 110.656 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.62 -179.1 36.09 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 120.792 -0.718 . . . . 38.44 113.396 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -148.41 134.61 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.782 0.325 . . . . 64.01 111.3 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.56 154.87 25.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.048 0.388 . . . . 64.54 112.048 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.33 5.86 10.09 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.447 -0.406 . . . . 70.11 113.52 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.404 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 49.5 m -99.15 152.11 20.24 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 122.728 -0.278 . . . . 74.03 111.206 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.592 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -58.3 -63.49 1.25 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.345 0.593 . . . . 75.12 112.148 -171.123 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.418 ' HA ' ' NH1' ' A' ' 27' ' ' ARG . 4.8 m-20 -58.86 -36.23 74.25 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.622 -0.717 . . . . 63.54 111.451 -174.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -70.22 -34.96 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.801 -0.636 . . . . 72.42 111.631 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 22' ' ' SER . 96.0 mtt180 -64.59 -25.02 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.055 0.391 . . . . 75.4 112.055 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.52 ' HB3' HD13 ' A' ' 64' ' ' LEU . 67.2 mtt85 -58.74 -43.84 90.32 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.156 0.503 . . . . 74.44 110.934 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . . . -61.94 -57.23 12.53 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.898 -0.592 . . . . 72.55 112.013 -177.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.2 pp -63.85 -28.47 69.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 111.96 0.356 . . . . 75.33 111.96 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -67.49 -48.67 66.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.764 0.316 . . . . 64.32 111.589 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.1 mmm -91.84 7.51 41.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.478 -0.328 . . . . 73.44 111.517 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.9 71.9 0.56 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.606 0.717 . . . . 74.01 112.477 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 51.0 mm -102.1 111.48 64.36 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.595 -0.729 . . . . 71.52 110.204 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.94 25.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 122.784 2.322 . . . . 60.21 115.092 -172.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -146.41 147.92 32.52 Favored Pre-proline 0 N--CA 1.474 0.757 0 O-C-N 121.862 -0.524 . . . . 73.45 111.927 176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.56 139.99 79.0 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 123.348 2.699 . . . . 75.54 114.62 -173.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.531 ' HA ' HD13 ' A' ' 40' ' ' ILE . 70.2 p -65.64 -40.53 92.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.711 -0.677 . . . . 71.51 112.618 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.71 -43.25 72.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.123 0.487 . . . . 73.4 111.718 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.7 -36.09 83.17 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.204 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.55 HD12 HG11 ' A' ' 65' ' ' VAL . 69.8 mt -55.78 -40.93 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.236 0.541 . . . . 74.01 111.414 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.406 HG23 ' HA3' ' A' ' 72' ' ' GLY . 62.9 t -74.63 -36.57 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.914 -0.585 . . . . 73.54 111.865 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.505 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.8 OUTLIER -73.6 -40.36 63.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.391 0.515 . . . . 71.43 112.391 -176.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.87 136.17 94.4 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.237 0.458 . . . . 72.41 112.237 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 176.1 8.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.705 2.27 . . . . 73.34 112.645 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.53 -43.31 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 113.04 0.755 . . . . 70.32 113.04 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.92 -55.39 26.39 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.867 0.365 . . . . 73.04 111.528 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 -37.13 76.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.945 0.402 . . . . 73.45 111.427 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -61.29 -50.02 74.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.096 -0.502 . . . . 75.14 111.214 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.781 0.324 . . . . 75.13 111.287 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.8 mm-40 -55.19 -51.02 67.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.919 0.39 . . . . 74.52 110.674 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -50.59 -49.44 56.35 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.885 -0.598 . . . . 72.23 111.48 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.98 -31.7 72.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.387 0.514 . . . . 74.24 112.387 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.53 -21.91 35.22 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.227 0.455 . . . . 64.43 112.227 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 85.6 mtt180 -90.39 -16.83 28.35 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.513 0.56 . . . . 75.41 112.513 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -106.03 145.25 30.57 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-O 121.066 0.46 . . . . 75.32 112.119 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.85 43.65 1.41 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.048 2.499 . . . . 74.45 113.894 -174.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.538 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 72.7 mt -82.14 145.77 29.94 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.946 0.403 . . . . 75.53 111.686 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 p -85.39 164.26 18.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.604 -0.271 . . . . 64.33 110.959 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -47.69 -36.29 10.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.863 0.69 . . . . 73.45 112.863 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -67.72 -40.62 84.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.944 0.402 . . . . 62.34 111.345 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 49.6 mt-30 -66.48 -43.58 85.06 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.339 -0.391 . . . . 72.22 111.776 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.14 -40.21 88.99 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.957 0.408 . . . . 74.32 111.361 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.91 86.61 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.905 0.383 . . . . 70.44 111.235 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.52 HD13 ' HB3' ' A' ' 27' ' ' ARG . 37.6 tp -61.47 -53.01 62.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.23 -0.441 . . . . 72.34 111.267 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.55 HG11 HD12 ' A' ' 40' ' ' ILE . 64.5 t -53.54 -39.98 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.037 -0.529 . . . . 73.13 111.716 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.8 mtm180 -62.02 -35.68 79.28 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.33 0.492 . . . . 74.3 112.33 178.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.499 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 29.6 t70 -73.76 -40.34 63.56 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.166 -0.334 . . . . 73.52 110.846 176.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.95 -40.77 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.911 0.386 . . . . 52.54 110.953 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -53.88 -50.49 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.269 0.557 . . . . 74.13 110.516 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.21 -45.68 87.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.676 -0.693 . . . . 74.35 111.763 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 16.9 mmm180 -51.29 -57.22 9.44 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.527 0.565 . . . . 75.15 112.527 -176.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.406 ' HA3' HG23 ' A' ' 41' ' ' VAL . . . -74.23 -36.66 50.17 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.879 -0.677 . . . . 72.3 113.564 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -71.71 -43.02 66.62 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.468 -0.431 . . . . 72.51 111.943 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -57.58 -33.52 68.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.045 0.45 . . . . 75.24 111.143 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.63 -53.18 41.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.922 -0.581 . . . . 74.24 111.59 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.486 HG23 ' ND2' ' A' ' 80' ' ' ASN . 12.1 p -81.86 -27.01 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-O 121.062 0.458 . . . . 75.32 111.414 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.26 72.37 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.881 0.372 . . . . 71.11 111.601 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.77 78.68 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.998 0.37 . . . . 71.33 111.998 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -73.38 -29.91 62.94 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.012 0.434 . . . . 70.11 111.858 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.486 ' ND2' HG23 ' A' ' 76' ' ' VAL . 82.8 m-20 -89.72 23.97 2.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.755 0.312 . . . . 74.21 111.585 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.0 131.12 43.88 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.279 0.562 . . . . 75.4 112.113 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.67 156.83 3.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.509 -0.769 . . . . 75.12 111.678 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.694 ' HZ3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -67.75 111.51 4.31 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.297 0.57 . . . . 64.33 111.944 -179.171 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -76.07 129.33 36.66 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.763 -0.653 . . . . 74.22 110.872 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.688 ' HB3' ' HZ3' ' A' ' 85' ' ' LYS . 8.6 mtpm? -107.84 118.64 37.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.091 0.472 . . . . 74.33 110.688 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 86' ' ' LEU . 6.9 mp -76.64 6.39 6.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.545 0.572 . . . . 74.04 112.545 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -66.95 92.12 0.22 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.173 0.511 . . . . 74.12 110.975 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -82.53 165.41 20.16 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.889 -0.596 . . . . 74.51 111.104 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 111.76 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.712 0.291 . . . . 75.03 110.885 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.4 m -51.4 136.7 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 121.26 0.552 . . . . 74.4 112.371 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.769 -0.634 . . . . 62.45 111.575 -177.235 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.579 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.563 0.22 . . . . 74.42 111.36 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.11 82.74 0.2 Allowed Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.05 -0.595 . . . . 61.35 113.276 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -75.12 101.56 4.61 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.461 0.541 . . . . 73.21 112.461 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -77.36 104.72 8.04 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.849 0.356 . . . . 74.11 110.565 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -120.15 108.85 14.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.313 -0.403 . . . . 73.3 110.905 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -136.97 153.19 50.76 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.123 0.416 . . . . 63.41 112.123 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -161.66 136.66 7.32 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.364 -0.38 . . . . 71.54 110.96 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.37 102.83 6.59 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.854 0.359 . . . . 75.03 111.368 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -83.38 159.36 21.84 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.31 -0.405 . . . . 61.33 110.809 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -124.3 103.2 8.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.132 0.491 . . . . 74.41 111.367 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt -134.36 158.54 43.57 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.956 -0.565 . . . . 72.33 110.909 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 69.24 83.6 0.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.484 0.659 . . . . 74.15 111.798 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.14 141.73 23.18 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.825 -0.625 . . . . 71.35 111.274 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.07 104.21 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.539 2.159 . . . . 75.24 112.482 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.8 m -99.65 108.86 21.33 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.239 -0.437 . . . . 73.04 111.263 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.11 121.92 20.99 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.433 -0.348 . . . . 54.44 111.676 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.475 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 55.0 ttt180 -100.1 160.4 14.35 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.909 0.385 . . . . 74.22 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.475 ' N ' ' HG2' ' A' ' 17' ' ' ARG . . . -60.62 164.82 15.29 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.394 -0.431 . . . . 74.32 113.38 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -83.05 116.91 22.5 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.914 0.388 . . . . 73.41 111.668 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . . . -139.41 108.44 6.03 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.829 0.347 . . . . 64.33 111.057 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.43 33.49 6.43 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.308 -0.472 . . . . 52.15 113.288 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.6 m -83.04 146.26 28.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.901 0.381 . . . . 64.2 111.856 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -46.83 -52.35 14.47 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.957 -0.565 . . . . 75.22 112.23 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.99 -42.86 95.13 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.047 0.451 . . . . 72.22 111.593 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.436 ' HG3' ' HB2' ' A' ' 20' ' ' ALA . 74.9 mm-40 -57.83 -36.72 72.67 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.141 0.423 . . . . 75.34 112.141 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -59.89 -29.1 68.11 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.048 0.452 . . . . 75.01 111.087 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -78.79 -42.21 28.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.285 0.564 . . . . 65.44 110.518 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -56.3 -55.14 37.0 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.707 -0.679 . . . . 73.44 111.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.83 -23.48 67.25 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.955 0.354 . . . . 71.54 111.955 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.54 -49.31 42.0 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.9 0.381 . . . . 73.15 111.444 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.0 mmm -85.73 6.81 26.12 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.422 -0.353 . . . . 75.31 111.806 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt 63.84 72.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 73.24 112.024 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.414 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.2 mm -108.39 116.17 56.87 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 116.456 -0.338 . . . . 73.45 110.628 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -24.36 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.799 2.333 . . . . 73.32 114.097 -176.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -102.86 141.02 21.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.859 0.362 . . . . 74.2 111.904 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.69 143.9 82.35 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.884 2.389 . . . . 72.05 114.033 -175.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.521 ' HA ' HD13 ' A' ' 40' ' ' ILE . 73.2 p -58.22 -40.07 80.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.025 -0.534 . . . . 72.24 111.751 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.59 -47.61 66.8 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.398 -0.365 . . . . 74.14 111.392 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.9 ttmt -60.33 -43.63 96.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.688 0.28 . . . . 73.53 110.913 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 37' ' ' THR . 63.5 mt -52.1 -37.34 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.266 0.555 . . . . 74.15 111.452 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.441 ' O ' ' NZ ' ' A' ' 73' ' ' LYS . 60.8 t -80.84 -45.33 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.987 -0.551 . . . . 70.33 112.212 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.45 -6.26 42.39 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.562 0.578 . . . . 73.0 112.562 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 75.3 mt -83.92 143.49 43.23 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.092 -0.38 . . . . 74.33 111.026 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.73 167.7 25.81 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.287 1.991 . . . . 62.51 112.176 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.98 -41.57 59.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 112.668 0.618 . . . . 74.22 112.668 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.82 -60.93 2.38 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.85 0.357 . . . . 64.42 111.216 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.63 -27.72 41.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.286 0.476 . . . . 74.21 112.286 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.28 -53.37 58.49 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.006 0.431 . . . . 73.51 111.127 173.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -63.66 -31.19 72.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.046 0.45 . . . . 73.42 111.025 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 25.3 mm-40 -62.75 -49.75 73.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.854 0.359 . . . . 74.42 111.145 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.2 tp -54.39 -47.8 72.3 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.156 -0.475 . . . . 74.43 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.478 HD23 HG13 ' A' ' 65' ' ' VAL . 92.0 mt -63.32 -33.9 76.52 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 72.53 112.158 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.11 -33.97 56.8 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.971 0.415 . . . . 44.14 111.708 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 95.9 mtt180 -78.93 -31.47 45.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.878 0.371 . . . . 75.22 111.198 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -106.09 101.07 32.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.581 -0.281 . . . . 61.54 110.75 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -66.39 81.57 0.3 Allowed 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.755 2.303 . . . . 74.11 113.424 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 87.1 mt -91.55 162.55 14.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.03 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.483 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 30.5 p -71.84 147.68 46.93 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.209 -0.307 . . . . 74.31 110.541 176.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.77 -22.79 3.88 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.853 0.359 . . . . 62.35 111.689 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.8 m -75.45 -42.62 52.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.298 -0.41 . . . . 74.13 111.216 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.483 ' HG3' ' OG1' ' A' ' 58' ' ' THR . 56.9 mt-30 -61.81 -46.39 89.73 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 122.292 -0.255 . . . . 74.12 111.232 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.464 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.2 mp -58.0 -32.66 68.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.67 0.271 . . . . 73.24 111.386 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.99 90.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.131 0.491 . . . . 72.32 111.292 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.41 -49.18 61.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 73.14 111.128 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.478 HG13 HD23 ' A' ' 52' ' ' LEU . 59.8 t -54.93 -43.38 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 72.24 111.291 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -65.8 -30.03 70.6 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.502 -0.317 . . . . 74.35 111.454 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.96 -51.96 16.35 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.695 0.283 . . . . 73.42 111.026 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.493 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 71.5 mt -55.71 -45.53 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.03 0.443 . . . . 72.02 111.039 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -49.84 -48.06 51.22 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.881 -0.599 . . . . 71.43 111.232 174.402 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.96 -40.24 83.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.822 0.344 . . . . 75.32 110.504 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.493 ' HD3' ' HA ' ' A' ' 68' ' ' ILE . 32.4 mtp85 -57.88 -58.0 10.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.274 0.559 . . . . 74.32 111.734 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' ' 75' ' ' LYS . . . -66.39 -36.57 91.77 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.948 -0.569 . . . . 75.13 113.077 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 41' ' ' VAL . 15.4 tppt? -64.62 -33.45 75.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 122.369 -0.489 . . . . 72.4 110.891 179.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -72.24 -35.36 68.8 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.164 0.507 . . . . 61.23 110.829 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 53.4 tttm -56.69 -41.16 76.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.832 -0.622 . . . . 74.31 111.664 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.78 -39.05 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 116.604 -0.271 . . . . 74.1 111.63 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.48 -24.55 66.66 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.923 0.392 . . . . 63.1 111.917 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.0 -22.73 61.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.31 -0.404 . . . . 71.35 111.968 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -82.5 -8.79 59.61 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.811 0.3 . . . . 74.22 111.811 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -145.97 27.76 1.17 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.438 0.533 . . . . 65.32 112.438 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -73.8 129.61 38.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.127 0.489 . . . . 72.03 111.808 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -61.05 107.5 0.74 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.967 -0.56 . . . . 74.14 110.325 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.748 ' HZ3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -59.98 135.77 57.81 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.151 0.797 . . . . 75.35 113.151 -168.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -84.05 109.82 17.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.997 0.427 . . . . 73.14 111.331 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.749 ' HB3' ' HZ3' ' A' ' 85' ' ' LYS . 6.2 ttpm? -69.04 125.22 25.97 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.325 -0.398 . . . . 75.11 111.794 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.5 tp -88.5 89.5 8.02 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.382 0.61 . . . . 74.41 110.194 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.606 ' HB2' ' HE2' ' A' ' 85' ' ' LYS . 43.6 tt0 -96.8 94.9 7.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.928 -0.578 . . . . 74.21 111.512 -176.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.2 m -87.37 89.72 8.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.139 0.495 . . . . 75.34 110.965 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.6 mm -128.58 109.65 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.165 -0.47 . . . . 64.11 111.66 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -157.2 138.2 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.055 0.455 . . . . 74.13 111.455 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 C--O 1.254 1.327 0 CA-C-O 118.805 -0.617 . . . . 72.32 112.215 -179.231 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttm . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.765 0.317 . . . . 71.33 111.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.63 -130.01 10.09 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.162 -0.542 . . . . 73.51 114.005 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -103.23 132.09 49.76 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.221 0.452 . . . . 74.14 112.221 -173.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -105.87 172.28 6.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.939 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -115.81 110.98 19.82 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.082 0.468 . . . . 62.52 111.677 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -75.84 161.65 28.81 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.162 0.506 . . . . 70.51 111.854 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -127.8 130.11 48.12 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.198 -0.456 . . . . 74.23 112.057 -171.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -107.5 148.24 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.047 0.388 . . . . 75.43 112.047 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -169.08 105.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.937 0.398 . . . . 74.51 111.64 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -96.96 153.81 17.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.884 0.373 . . . . 73.55 111.132 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 mmt -73.63 98.32 2.83 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.057 0.456 . . . . 71.43 111.065 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.05 111.65 7.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.905 -0.589 . . . . 73.24 111.728 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.824 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 10.0 mmpt? 62.36 79.92 0.26 Allowed Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 115.845 -0.616 . . . . 73.5 112.038 -175.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.25 56.08 4.82 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.919 2.413 . . . . 72.4 112.104 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.0 m -61.09 97.33 0.06 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.006 0.431 . . . . 75.3 111.23 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.22 150.78 33.41 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.757 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -94.13 119.16 32.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.837 0.351 . . . . 75.5 111.101 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.43 71.34 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.202 -0.523 . . . . 54.3 113.392 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.55 101.06 2.9 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 122.456 -0.438 . . . . 64.04 111.463 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 98.7 4.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.193 0.52 . . . . 74.33 112.057 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.01 -81.2 0.96 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.149 -0.548 . . . . 62.35 112.99 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -67.03 169.34 8.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.348 0.499 . . . . 62.43 112.348 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -63.51 -44.2 94.98 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.087 0.47 . . . . 71.34 110.882 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.65 -24.8 64.18 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.879 -0.601 . . . . 63.03 112.383 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.63 -36.15 69.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.716 0.293 . . . . 75.04 110.992 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -63.84 -47.17 81.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.943 0.402 . . . . 74.31 110.255 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.454 ' HB3' HD13 ' A' ' 64' ' ' LEU . 8.1 mtp85 -57.07 -39.91 75.87 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.999 -0.546 . . . . 74.41 111.278 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -51.84 62.19 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.182 -0.463 . . . . 72.31 112.125 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.45 -20.73 59.92 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 111.977 0.362 . . . . 75.41 111.977 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.06 71.01 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.845 0.355 . . . . 75.34 111.795 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.44 ' HG3' HD22 ' A' ' 64' ' ' LEU . 93.9 mmm -99.57 -0.66 40.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 71.32 111.729 177.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm 61.71 78.01 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.168 0.587 . . . . 75.3 112.272 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -92.3 118.02 67.92 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.019 -0.537 . . . . 62.52 110.419 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.56 28.51 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.946 2.43 . . . . 72.35 114.465 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.443 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 44.4 p90 -157.89 155.39 26.47 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 122.193 -0.317 . . . . 73.43 111.591 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 31.0 Cg_endo -61.9 136.66 62.87 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.018 2.479 . . . . 73.04 114.193 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.404 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 74.8 p -65.93 -38.39 88.53 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.884 -0.598 . . . . 74.45 112.499 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -54.8 -43.92 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.977 0.418 . . . . 63.43 111.138 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -55.65 -38.87 70.15 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.25 -0.432 . . . . 64.03 111.498 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.479 HG23 ' HB2' ' A' ' 69' ' ' ARG . 74.6 mt -52.66 -43.32 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.269 0.557 . . . . 75.52 111.897 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' A' ' 69' ' ' ARG . 26.7 t -89.42 -26.78 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.067 -0.515 . . . . 70.34 112.365 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -91.77 -13.92 30.73 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.775 1.028 . . . . 73.42 113.775 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.27 144.58 47.01 Favored Pre-proline 0 N--CA 1.473 0.712 0 O-C-N 121.774 -0.579 . . . . 64.43 111.596 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.31 167.49 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.481 2.121 . . . . 65.42 112.124 174.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.0 p -56.3 -41.34 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.822 0.675 . . . . 75.01 112.822 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.33 -57.73 6.86 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 111.943 0.349 . . . . 74.35 111.943 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.28 -34.38 57.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.001 0.429 . . . . 62.35 111.136 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' HE1' HG22 ' A' ' 40' ' ' ILE . 83.3 t80 -63.48 -46.34 86.64 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.131 -0.486 . . . . 74.24 111.124 175.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.18 -46.71 82.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.072 0.463 . . . . 73.45 111.157 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.0 -34.33 76.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.217 -0.447 . . . . 75.24 111.026 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -55.43 -50.01 70.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.843 0.354 . . . . 75.23 110.89 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.36 -36.78 74.0 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.335 0.588 . . . . 75.51 111.498 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.43 53.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.946 -0.57 . . . . 75.44 112.354 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.17 -3.46 58.82 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.98 0.733 . . . . 73.2 112.98 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 70.1 m-85 -125.6 149.11 64.05 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.306 0.484 . . . . 75.43 112.306 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 4.1 Cg_exo -75.87 42.49 0.96 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.507 2.805 . . . . 72.42 113.207 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.66 136.72 51.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.99 0.424 . . . . 73.25 111.85 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.423 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 28.1 p -72.03 157.96 36.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.393 -0.367 . . . . 75.25 110.035 172.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -49.26 -38.54 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.05 0.453 . . . . 64.3 111.384 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -65.69 -39.22 91.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.065 -0.516 . . . . 75.53 111.368 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' ' 65' ' ' VAL . 53.6 mt-30 -65.92 -42.11 90.55 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.924 0.342 . . . . 75.23 111.924 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.08 -40.98 77.97 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.97 0.414 . . . . 74.3 110.612 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.06 97.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 64.53 111.335 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 HD13 ' HB3' ' A' ' 27' ' ' ARG . 61.9 tp -62.03 -50.36 72.35 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.489 -0.323 . . . . 73.11 111.281 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 61' ' ' GLN . 98.0 t -56.07 -45.89 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.172 0.511 . . . . 74.23 111.025 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -62.16 -37.05 83.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.519 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 21.9 t70 -67.79 -45.58 74.42 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.61 -0.268 . . . . 73.12 111.033 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 64' ' ' LEU . 73.8 mt -54.34 -48.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.103 0.478 . . . . 74.44 110.993 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' HA ' HG22 ' A' ' 41' ' ' VAL . 53.0 ttp180 -61.61 -40.81 96.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.272 0.558 . . . . 74.4 110.884 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -60.42 -44.67 95.52 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.628 -0.714 . . . . 74.54 111.247 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.527 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 29.4 mmt180 -65.01 -46.41 81.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.872 0.368 . . . . 72.43 110.819 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.6 -40.26 98.92 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.072 -0.513 . . . . 61.14 113.488 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.72 -15.1 43.31 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.417 0.525 . . . . 74.15 112.417 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.97 -32.24 69.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.065 0.46 . . . . 75.3 110.83 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -61.96 -39.09 90.95 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.092 0.472 . . . . 73.54 110.57 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.09 -42.42 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.339 -0.391 . . . . 62.22 110.535 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.95 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.236 -0.438 . . . . 65.53 111.501 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.06 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.008 0.432 . . . . 73.12 111.231 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.85 -36.74 78.52 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.403 -0.362 . . . . 72.22 111.956 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -105.0 29.79 6.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.299 0.571 . . . . 75.11 110.926 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.73 130.52 45.3 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.802 -0.636 . . . . 71.35 111.229 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 67.66 64.56 0.4 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.329 0.585 . . . . 74.31 111.454 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -61.55 167.64 3.32 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.428 -0.805 . . . . 73.14 111.144 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -66.08 106.41 1.61 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.465 0.65 . . . . 72.44 111.371 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -78.51 140.83 38.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.717 -0.674 . . . . 73.21 111.714 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -94.44 104.9 16.87 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.161 -0.472 . . . . 64.14 111.562 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -83.52 133.39 34.88 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.276 -0.42 . . . . 74.24 111.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -86.45 128.14 34.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.671 -0.241 . . . . 75.05 111.062 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.97 100.49 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.451 0.643 . . . . 75.41 111.155 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -103.49 159.07 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.555 -0.748 . . . . 62.03 111.972 -174.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 C--O 1.255 1.379 0 CA-C-N 116.235 -0.439 . . . . 75.15 111.809 175.466 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.766 0.317 . . . . 63.13 111.277 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.86 85.45 0.08 OUTLIER Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.623 -0.799 . . . . 62.32 113.299 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -79.23 120.7 24.09 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 122.453 -0.439 . . . . 55.12 110.279 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -155.35 149.93 26.25 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.798 0.295 . . . . 72.52 111.798 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -154.21 123.81 6.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.02 0.438 . . . . 74.43 111.759 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -147.98 98.85 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.183 -0.462 . . . . 62.42 111.13 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -90.33 -22.75 21.38 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.715 0.265 . . . . 73.1 111.715 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -74.44 97.8 3.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.987 0.422 . . . . 71.51 110.244 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -72.81 159.27 34.03 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.53 0.681 . . . . 74.32 112.49 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -86.82 110.61 20.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.741 -0.663 . . . . 74.14 111.136 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.5 ptp -54.24 -29.87 48.14 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.85 0.357 . . . . 72.25 111.87 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.06 135.68 55.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.313 -0.403 . . . . 73.34 110.813 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 101.1 40.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 120.775 0.321 . . . . 74.34 111.326 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -91.39 175.51 2.29 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.114 2.543 . . . . 72.43 113.66 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -113.78 123.98 51.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.952 -0.567 . . . . 72.51 110.949 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.56 94.63 6.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.882 0.372 . . . . 63.21 111.85 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -86.49 60.86 6.48 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.176 0.513 . . . . 72.05 111.652 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.76 -56.65 1.5 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.883 . . . . 62.33 110.894 171.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 64.29 10.48 5.65 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.649 0.981 . . . . 71.5 113.649 166.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB1' ' HG3' ' A' ' 25' ' ' GLU . . . -91.4 158.07 16.72 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.046 0.451 . . . . 65.43 111.341 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 54.77 1.97 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.725 -0.75 . . . . 73.33 113.492 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.553 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 31.4 m -115.02 151.02 34.95 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.086 0.469 . . . . 53.25 111.848 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 2.3 tpm_? -50.23 -40.61 48.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.345 0.593 . . . . 73.41 110.435 173.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -52.41 65.41 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.269 -0.878 . . . . 54.14 111.125 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.553 ' HG2' ' HB2' ' A' ' 22' ' ' SER . 40.5 mm-40 -52.21 -45.29 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.643 -0.708 . . . . 73.52 111.252 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -61.39 -36.33 79.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.98 -0.554 . . . . 73.35 111.561 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 23' ' ' ARG . 14.9 mmm180 -66.93 -42.79 84.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.11 0.481 . . . . 75.4 110.466 175.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -54.52 44.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.944 -0.571 . . . . 73.23 112.033 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.58 -20.98 64.55 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.088 0.403 . . . . 72.53 112.088 -178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.85 98.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.124 0.488 . . . . 63.42 111.162 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mmm -100.37 -8.23 23.54 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.359 -0.382 . . . . 73.44 111.487 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 66.34 93.94 0.07 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.618 0.767 . . . . 74.22 112.467 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.428 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 51.4 mm -111.47 124.58 32.26 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.798 -0.637 . . . . 74.52 110.962 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 12.6 Cg_exo -70.39 -18.32 34.13 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.021 2.48 . . . . 63.12 114.851 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -116.69 149.33 43.73 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 112.423 0.527 . . . . 71.43 112.423 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.32 141.71 82.86 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.146 2.564 . . . . 71.34 114.097 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.428 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.4 p -61.07 -41.75 97.21 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.601 -0.727 . . . . 74.31 112.503 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -54.61 -48.86 71.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.363 -0.38 . . . . 75.03 111.894 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.06 -40.91 86.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.588 -0.278 . . . . 73.11 111.592 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.438 HD11 HG11 ' A' ' 65' ' ' VAL . 65.1 mt -52.68 -39.74 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.512 0.672 . . . . 71.51 111.228 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.79 -35.95 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.672 -0.694 . . . . 71.03 112.233 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -82.38 -29.56 30.79 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.959 0.726 . . . . 72.32 112.959 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.87 139.58 93.42 Favored Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 122.092 -0.38 . . . . 74.14 111.92 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.0 172.12 16.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.66 2.24 . . . . 75.13 111.968 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.89 -39.47 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 112.356 0.502 . . . . 72.45 112.356 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.06 -63.0 1.46 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.036 0.446 . . . . 73.43 111.598 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.64 -25.41 65.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.293 -0.412 . . . . 72.02 111.746 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.73 -50.68 68.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.022 0.439 . . . . 73.23 110.742 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -59.38 -45.15 92.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.155 -0.475 . . . . 61.33 110.903 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.515 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 58.6 mm-40 -57.62 -45.91 84.76 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.257 -0.429 . . . . 62.35 111.342 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 52.0 tp -58.37 -45.98 87.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.31 -0.405 . . . . 74.15 111.226 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.1 -30.6 71.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.424 -0.353 . . . . 64.01 111.543 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.47 60.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.883 0.373 . . . . 75.44 111.922 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 61.1 mtp180 -62.49 -49.24 76.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.833 0.679 . . . . 74.51 112.833 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 88.9 m-85 -102.71 143.96 27.66 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.253 0.464 . . . . 75.4 112.253 -172.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 7.4 Cg_exo -73.45 61.99 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.156 2.571 . . . . 75.35 112.932 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.32 137.35 35.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.94 0.4 . . . . 64.33 111.179 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 p -68.79 152.84 44.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.484 -0.326 . . . . 64.2 110.782 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -49.08 -39.59 28.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.636 0.606 . . . . 75.02 112.636 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -64.92 -32.53 74.29 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.056 0.455 . . . . 64.23 111.703 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.466 ' O ' HG21 ' A' ' 65' ' ' VAL . 56.8 mt-30 -69.06 -42.84 75.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.277 -0.265 . . . . 54.13 111.429 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.91 -40.64 85.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.965 0.412 . . . . 74.44 110.617 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.66 84.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.075 -0.511 . . . . 64.23 111.07 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.35 -46.56 88.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.362 -0.381 . . . . 72.24 111.281 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 61' ' ' GLN . 71.9 t -57.08 -41.55 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.976 0.417 . . . . 72.41 111.094 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 66' ' ' ARG . 60.9 mtt180 -64.27 -40.55 96.2 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.989 175.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.407 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 31.0 t70 -62.15 -44.74 95.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.975 176.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.04 -44.92 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.862 0.363 . . . . 72.41 111.175 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.409 ' HB2' HG23 ' A' ' 40' ' ' ILE . 49.8 ttt180 -59.01 -40.42 84.89 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.0 0.429 . . . . 74.33 110.528 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -62.88 -48.05 80.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.097 -0.501 . . . . 71.32 111.197 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 41.8 mtp85 -59.12 -39.52 82.55 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.115 0.413 . . . . 74.32 112.115 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.77 -49.03 15.0 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.085 -0.578 . . . . 75.24 112.774 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -61.38 -26.29 67.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.988 0.423 . . . . 72.53 111.346 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.31 -38.86 92.82 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.9 0.381 . . . . 73.12 110.388 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.83 -42.75 94.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.008 0.432 . . . . 73.24 110.654 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.58 -34.78 52.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.265 0.555 . . . . 64.44 110.784 175.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.27 61.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.25 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.65 81.11 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.192 0.442 . . . . 75.33 112.192 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -75.62 1.52 14.23 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 111.953 0.353 . . . . 61.03 111.953 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.18 16.71 9.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.051 0.453 . . . . 62.44 110.44 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -94.26 148.68 21.97 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.149 0.5 . . . . 74.21 112.09 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -74.56 123.71 25.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.034 -0.53 . . . . 74.3 111.744 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -92.74 139.55 30.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.87 0.366 . . . . 73.44 111.345 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -85.37 144.27 28.13 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.65 0.738 . . . . 75.02 112.984 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -83.91 127.99 34.23 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.423 -0.808 . . . . 75.44 110.309 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.46 85.9 0.11 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.434 0.635 . . . . 75.41 111.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.03 99.94 10.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.554 -0.748 . . . . 74.23 110.884 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.1 p -85.2 96.1 9.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.086 0.47 . . . . 71.52 111.42 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.9 mt -74.65 98.16 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.168 -0.469 . . . . 71.24 111.299 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.95 131.0 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.818 0.342 . . . . 73.33 111.099 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.512 -0.756 . . . . 63.23 110.486 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.594 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.499 0.19 . . . . 71.53 111.155 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.13 -68.77 0.36 Allowed Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.7 -0.762 . . . . 73.11 113.647 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -120.15 101.57 7.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.012 0.745 . . . . 74.41 113.012 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -111.4 133.71 53.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.016 -0.538 . . . . 64.23 109.732 171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -118.42 161.33 20.16 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.349 0.87 . . . . 74.22 113.349 -169.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -108.83 -80.3 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.536 -0.756 . . . . 74.52 109.669 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -116.48 103.12 10.11 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.966 0.413 . . . . 72.23 110.61 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -98.23 94.99 7.09 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.424 -0.353 . . . . 73.11 111.742 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.6 t -171.39 159.87 5.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.406 0.622 . . . . 71.24 112.096 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -154.46 21.15 0.48 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.726 -0.67 . . . . 74.42 110.832 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.4 tpp -84.82 96.4 9.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.061 -0.518 . . . . 74.11 110.787 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.66 131.06 20.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.92 0.39 . . . . 70.42 111.763 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -154.41 121.77 2.88 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.473 -0.33 . . . . 74.43 111.013 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.46 83.15 2.1 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.138 1.892 . . . . 70.2 112.228 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -75.11 76.88 2.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.525 0.678 . . . . 72.54 111.805 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.83 150.12 51.39 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.537 -0.756 . . . . 75.15 110.504 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -102.85 -26.18 13.22 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.081 0.4 . . . . 75.4 112.081 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.13 -50.0 4.1 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.171 -0.537 . . . . 73.05 113.227 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.46 142.78 31.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.763 0.316 . . . . 72.22 111.568 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 67.16 2.41 2.77 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.513 0.561 . . . . 73.22 112.513 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.5 167.49 33.93 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.127 -0.559 . . . . 71.23 113.019 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 96.7 p -79.05 -178.37 6.09 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.268 0.556 . . . . 52.11 111.678 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.637 ' NH2' ' HG3' ' A' ' 71' ' ' ARG . 21.3 ttp180 -56.54 -48.0 78.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.545 0.688 . . . . 73.24 110.672 173.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.91 -23.41 62.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.442 -0.799 . . . . 64.31 112.262 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.22 -43.46 74.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.686 0.279 . . . . 60.35 111.416 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.52 -47.08 87.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.173 0.511 . . . . 75.0 111.019 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.536 ' HB3' HD21 ' A' ' 64' ' ' LEU . 14.2 mmt180 -59.29 -38.9 81.34 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.828 -0.624 . . . . 73.43 111.433 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.43 -52.51 63.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.233 -0.439 . . . . 55.33 111.963 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.96 -21.48 60.01 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.847 0.314 . . . . 74.5 111.847 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.02 -47.95 40.52 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.13 0.49 . . . . 74.11 111.515 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.507 ' HG3' HD23 ' A' ' 64' ' ' LEU . 95.3 mmm -90.13 1.98 55.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.359 -0.382 . . . . 72.13 111.367 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt 53.65 74.2 0.33 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.615 0.721 . . . . 74.31 111.874 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mm -92.22 119.07 68.36 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 115.603 -0.726 . . . . 72.25 110.778 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.429 ' HD2' HD21 ' A' ' 57' ' ' LEU . 66.3 Cg_endo -72.07 16.33 0.36 Allowed 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 122.929 2.419 . . . . 72.1 114.775 -174.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.415 ' CE2' HD13 ' A' ' 57' ' ' LEU . 37.2 p90 -148.94 147.61 24.67 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 120.644 0.259 . . . . 73.52 111.158 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.85 149.17 59.5 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.852 2.368 . . . . 75.21 114.172 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.541 ' HA ' HD13 ' A' ' 40' ' ' ILE . 53.4 p -67.94 -34.21 76.15 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.106 -0.497 . . . . 74.21 111.491 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.07 -46.42 65.15 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.195 0.522 . . . . 71.52 110.682 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -60.58 -39.63 88.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.887 -0.597 . . . . 73.14 110.963 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 37' ' ' THR . 69.9 mt -58.87 -28.28 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.797 -0.638 . . . . 72.14 111.715 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.16 -41.2 13.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.214 -0.448 . . . . 70.4 112.119 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -69.36 -30.03 67.95 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 74.4 112.042 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.04 127.1 70.66 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 120.897 0.379 . . . . 71.31 111.551 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.95 164.78 30.46 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.282 1.988 . . . . 72.05 112.018 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -48.42 -33.34 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.56 0.578 . . . . 72.43 112.56 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.94 -62.57 1.77 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.858 0.361 . . . . 71.33 111.206 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.08 -30.15 70.61 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.072 0.463 . . . . 74.42 111.568 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.417 ' CE1' HG12 ' A' ' 65' ' ' VAL . 82.0 t80 -59.69 -54.91 40.85 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.926 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.68 -29.11 67.85 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.911 0.386 . . . . 74.01 111.603 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -68.18 -47.31 68.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 72.35 111.238 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.91 -39.97 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.332 -0.395 . . . . 74.43 111.634 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.84 -30.47 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.469 0.544 . . . . 71.35 112.469 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.83 -7.06 56.86 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.16 0.429 . . . . 74.53 112.16 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -103.3 4.09 36.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.407 0.521 . . . . 74.13 112.407 -174.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -141.73 136.49 15.42 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.667 -0.242 . . . . 72.42 111.206 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.72 103.54 0.71 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.95 2.434 . . . . 70.23 113.03 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.429 HD21 ' HD2' ' A' ' 34' ' ' PRO . 96.4 mt -133.21 145.76 50.87 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.059 0.457 . . . . 74.23 111.427 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -81.31 157.61 25.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.513 -0.312 . . . . 72.21 110.611 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.41 -37.02 46.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.165 0.432 . . . . 72.42 112.165 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.3 m -63.14 -36.45 83.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.063 0.459 . . . . 74.03 111.062 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.1 mt-30 -72.58 -43.21 63.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.433 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.01 -45.39 92.93 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.19 -0.319 . . . . 74.42 111.446 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.72 63.99 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 61.32 111.197 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' A' ' 27' ' ' ARG . 55.0 tp -67.61 -53.76 25.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.808 -0.633 . . . . 75.03 111.248 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.506 HG11 HD12 ' A' ' 40' ' ' ILE . 98.1 t -54.49 -39.94 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.037 0.446 . . . . 74.14 111.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -65.75 -35.23 80.15 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.805 0.336 . . . . 74.51 111.345 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.584 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 17.2 t70 -65.22 -48.74 72.29 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.932 0.396 . . . . 73.53 110.279 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -49.51 -50.91 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 115.915 -0.584 . . . . 73.42 111.369 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -58.28 -43.62 88.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.247 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -56.59 -36.4 69.34 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 111.977 0.362 . . . . 72.33 111.977 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.637 ' HG3' ' NH2' ' A' ' 23' ' ' ARG . 18.0 mmt180 -81.94 -62.91 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.257 0.551 . . . . 73.03 111.586 -176.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.79 -36.28 91.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 116.029 -0.532 . . . . 65.13 114.39 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.09 -19.55 53.77 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.401 -0.47 . . . . 72.32 111.974 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.62 -38.42 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.966 0.412 . . . . 73.41 111.473 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -67.05 -39.92 87.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.184 0.516 . . . . 74.34 110.865 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.43 HG11 ' O ' ' A' ' 76' ' ' VAL . 12.7 t -91.39 33.01 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 121.663 0.744 . . . . 75.02 110.971 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.28 -20.75 11.27 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.993 -0.442 . . . . 75.2 112.139 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.59 73.01 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 63.22 112.848 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -74.14 -18.78 60.74 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 72.34 112.449 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -125.63 22.98 7.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.084 0.469 . . . . 71.32 111.842 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -82.87 -172.67 4.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.129 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.7 147.02 28.97 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.066 -0.396 . . . . 75.23 111.741 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.714 ' HZ1' ' HB3' ' A' ' 83' ' ' LYS . 8.5 mtpm? 68.87 -0.76 2.26 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.82 0.674 . . . . 51.15 112.82 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -107.18 156.05 19.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.065 -0.397 . . . . 75.04 110.883 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.0 79.52 2.19 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.218 0.532 . . . . 75.42 111.072 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.575 ' HG ' ' HG2' ' A' ' 87' ' ' GLU . 2.4 pt? -67.02 -179.93 1.02 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.693 -0.685 . . . . 72.22 112.606 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG2' ' HG ' ' A' ' 86' ' ' LEU . 19.5 mm-40 61.05 44.04 10.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.692 0.758 . . . . 74.24 111.689 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -141.71 110.26 6.05 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.521 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.08 99.26 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.103 0.478 . . . . 74.13 111.874 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.53 148.46 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.225 -0.443 . . . . 62.34 111.023 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--O 1.254 1.297 0 CA-C-O 118.88 -0.581 . . . . 74.41 111.755 -176.353 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.6 0.238 . . . . 70.32 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.78 94.28 0.63 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.171 -0.538 . . . . 64.45 113.436 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -85.95 85.66 7.37 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.371 0.605 . . . . 74.13 110.9 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -106.76 111.15 23.55 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.678 -0.692 . . . . 74.1 111.029 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -132.56 165.94 23.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.271 0.558 . . . . 75.33 112.474 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -130.13 160.37 33.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.89 -0.595 . . . . 65.33 110.348 174.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -161.17 119.0 2.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.385 0.513 . . . . 73.31 112.385 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -143.98 146.89 33.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.23 0.538 . . . . 72.32 112.154 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.6 p -153.68 166.03 34.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.756 -0.656 . . . . 72.54 111.121 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.48 156.3 46.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.881 0.372 . . . . 63.44 111.299 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -139.68 124.5 18.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.05 0.452 . . . . 74.41 111.406 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.66 137.36 51.61 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.292 -0.413 . . . . 61.3 111.237 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.49 151.35 39.17 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 116.428 -0.351 . . . . 75.31 111.31 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.34 110.09 2.98 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.196 1.93 . . . . 71.4 112.512 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -91.38 151.06 21.0 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.95 0.405 . . . . 73.22 111.548 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.65 109.87 22.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.027 0.441 . . . . 73.11 111.068 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -74.09 107.97 6.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.436 -0.347 . . . . 75.22 111.306 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.91 -93.46 0.44 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 121.262 -0.494 . . . . 71.35 112.73 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 65.07 12.34 7.86 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.59 89.67 1.31 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.077 0.465 . . . . 63.41 111.609 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.64 -102.37 0.16 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 121.157 -0.544 . . . . 73.12 112.986 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.0 m -148.87 172.59 14.43 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.996 0.427 . . . . 60.32 111.882 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -45.07 -60.22 2.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.782 -0.644 . . . . 75.24 112.225 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.1 -40.95 71.0 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.025 -0.534 . . . . 75.12 111.783 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -58.48 -47.68 83.26 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.526 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -68.76 -34.04 74.9 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.608 0.242 . . . . 73.23 111.412 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -58.88 -44.67 91.17 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.154 0.502 . . . . 74.13 110.689 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.74 80.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.833 -0.621 . . . . 73.22 112.122 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.87 -21.59 54.72 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.578 0.584 . . . . 75.03 112.578 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.56 -46.97 44.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.016 0.436 . . . . 71.35 111.552 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.64 -11.77 58.97 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.199 -0.455 . . . . 73.03 111.059 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt 64.6 84.1 0.16 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.758 0.823 . . . . 74.24 112.135 -176.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.05 114.79 63.69 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 115.746 -0.661 . . . . 73.41 110.307 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -76.35 24.85 0.44 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 122.808 2.339 . . . . 73.42 114.467 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -155.52 153.39 26.38 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.799 0.333 . . . . 73.21 111.691 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.4 141.26 80.45 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.054 2.503 . . . . 73.1 113.881 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.413 ' HA ' HD13 ' A' ' 40' ' ' ILE . 47.8 p -66.62 -21.98 66.12 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.05 -0.523 . . . . 73.13 111.73 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -58.34 -58.2 9.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.894 0.378 . . . . 55.24 110.835 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.92 -35.84 35.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.057 -0.519 . . . . 74.22 111.828 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 37' ' ' THR . 63.0 mt -55.7 -44.41 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.27 0.557 . . . . 74.54 111.927 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.29 -20.09 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.154 -0.476 . . . . 73.44 111.948 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.471 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -80.16 -40.1 27.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -176.556 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.7 149.23 74.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.595 0.591 . . . . 72.41 112.595 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.98 172.93 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.582 2.188 . . . . 74.04 111.979 172.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -46.18 69.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 113.29 0.848 . . . . 74.03 113.29 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.3 -53.85 49.1 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.039 0.385 . . . . 72.3 112.039 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.97 -38.04 84.55 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.044 0.449 . . . . 74.44 110.919 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.66 -42.95 79.83 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.832 -0.622 . . . . 74.32 111.07 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.27 -46.68 85.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 71.22 111.136 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.0 mt-10 -61.12 -43.5 98.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.2 -45.7 53.85 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.213 -0.449 . . . . 74.53 111.427 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.44 -31.07 72.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.065 -0.516 . . . . 75.32 112.149 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.75 -33.93 19.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.443 0.535 . . . . 54.03 112.443 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.7 mtt180 -69.16 -36.32 77.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.841 0.353 . . . . 72.43 111.768 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -97.79 142.68 24.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.79 0.329 . . . . 64.52 111.622 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.47 89.61 0.33 Allowed 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.254 1.969 . . . . 54.53 112.011 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 89.2 mt -113.16 144.46 42.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.06 0.457 . . . . 75.51 112.195 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 p -89.52 162.66 15.58 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.3 -0.409 . . . . 74.05 110.484 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -49.93 -42.31 48.07 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.848 0.356 . . . . 70.44 111.691 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.444 -0.344 . . . . 75.05 111.795 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 mt-30 -69.84 -46.05 66.47 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.646 0.239 . . . . 73.33 111.646 178.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.7 mp -55.1 -41.97 72.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.026 0.441 . . . . 74.33 110.353 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.11 79.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.045 -0.525 . . . . 71.52 111.31 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.83 -41.21 90.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.845 0.355 . . . . 75.24 111.79 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.2 t -63.45 -44.57 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.698 0.285 . . . . 74.43 111.274 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 75.7 mtt-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.913 0.387 . . . . 74.04 110.629 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' CG ' HH12 ' A' ' 71' ' ' ARG . 33.9 t70 -59.1 -52.08 67.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.83 -0.623 . . . . 74.11 110.994 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.03 -44.08 95.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 121.076 0.465 . . . . 73.52 111.183 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -53.23 -43.24 67.13 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.797 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.5 -59.54 4.83 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.094 -0.503 . . . . 75.52 111.349 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.408 HH12 ' CG ' ' A' ' 67' ' ' ASP . 91.4 mtm-85 -58.91 -35.56 73.27 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.165 0.432 . . . . 75.25 112.165 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.13 92.9 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.898 -0.667 . . . . 75.32 113.402 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.52 -12.9 30.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.644 0.609 . . . . 74.51 112.644 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -62.8 -30.09 71.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.337 0.589 . . . . 73.21 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -54.78 -39.23 68.18 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.48 -0.782 . . . . 74.22 110.534 173.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 t -76.27 -45.37 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.922 -0.581 . . . . 74.22 110.482 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.99 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.005 -0.543 . . . . 74.44 111.988 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.27 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.856 0.36 . . . . 71.23 111.744 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -91.48 -2.84 57.1 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.943 0.401 . . . . 72.42 111.587 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -130.49 22.37 5.13 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.315 0.579 . . . . 72.22 110.781 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -76.46 -42.4 43.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.74 -0.663 . . . . 71.3 111.851 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.637 ' HA ' ' NE ' ' A' ' 82' ' ' ARG . 2.8 mmp_? -87.69 80.05 8.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.61 0.719 . . . . 73.11 112.352 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -80.18 127.56 32.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.128 -0.942 . . . . 71.53 110.265 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.84 147.77 30.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.083 0.468 . . . . 75.54 111.892 -171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -142.35 105.1 4.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.376 -0.374 . . . . 75.53 111.435 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -86.67 152.14 22.82 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.392 -0.367 . . . . 73.33 111.374 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.87 110.37 2.84 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.971 0.36 . . . . 71.44 111.971 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.3 m -104.13 103.43 13.22 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.784 -0.45 . . . . 74.24 109.784 172.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mt -71.57 86.35 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.553 0.692 . . . . 74.41 112.259 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.72 145.28 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.782 -0.645 . . . . 72.32 110.952 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 N-CA-C 112.443 0.534 . . . . 74.44 112.443 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.611 0.243 . . . . 73.13 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.92 139.44 15.78 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 62.04 112.516 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -83.57 12.52 5.6 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 122.333 -0.51 . . . . 72.14 111.891 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -140.62 143.31 35.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.679 0.392 . . . . 64.24 110.47 174.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -82.08 104.09 12.17 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.055 0.455 . . . . 71.23 111.387 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -80.42 173.81 12.23 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.563 -0.29 . . . . 65.33 111.107 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 7' ' ' HIS . 50.7 t60 58.06 33.94 23.7 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.737 0.78 . . . . 72.54 110.516 -172.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -76.77 69.86 3.18 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.376 0.608 . . . . 72.32 111.932 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -169.99 168.41 8.59 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.968 -0.56 . . . . 63.41 111.384 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -125.5 23.19 7.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.737 0.304 . . . . 72.32 111.196 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.6 mmm -67.85 -32.03 72.27 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.542 -0.299 . . . . 54.51 111.255 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.08 123.54 28.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.526 -0.306 . . . . 74.12 110.633 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -77.97 114.13 39.17 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 112.97 0.73 . . . . 63.34 112.97 -171.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -92.51 113.61 0.29 Allowed 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.227 2.618 . . . . 71.31 112.509 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -135.23 -72.43 0.47 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.76 0.281 . . . . 62.4 111.76 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 102.54 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.198 0.444 . . . . 75.14 112.198 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -89.84 157.95 17.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.832 0.349 . . . . 75.35 111.171 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.03 133.23 9.54 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.097 -0.573 . . . . 51.12 112.923 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.63 140.57 56.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.988 0.423 . . . . 74.0 111.739 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.65 -67.34 1.0 Allowed 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.269 -0.423 . . . . 75.23 110.769 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.35 56.46 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 114.994 0.758 . . . . 54.34 114.994 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 58.7 m -86.9 152.66 22.24 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 122.158 -0.613 . . . . 74.24 110.122 169.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 23' ' ' ARG . 18.7 mtm180 -49.09 -44.06 41.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.461 0.648 . . . . 74.22 110.726 177.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.47 -57.28 12.56 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 74.22 111.565 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.54 -41.64 73.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.922 0.391 . . . . 74.44 112.054 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 22' ' ' SER . 61.8 mtp180 -63.78 -35.59 81.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.641 0.258 . . . . 74.2 111.577 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.9 -36.38 83.14 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.078 0.466 . . . . 75.42 110.749 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 -53.05 50.79 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.244 -0.434 . . . . 74.34 111.755 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.4 pp -70.08 -24.09 63.18 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.012 0.375 . . . . 71.3 112.012 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.05 92.97 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.142 0.496 . . . . 60.31 110.916 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.477 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.7 mmm -96.06 8.22 44.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.921 -0.581 . . . . 75.44 111.443 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' HZ3' ' HB3' ' A' ' 32' ' ' LYS . 7.3 mtpm? 56.78 69.92 0.7 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.647 0.61 . . . . 73.15 112.647 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.34 117.48 67.42 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 116.303 -0.408 . . . . 74.25 110.845 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.66 27.53 0.56 Allowed 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.92 2.414 . . . . 63.45 114.324 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -155.64 144.65 14.96 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 122.242 -0.286 . . . . 74.33 111.498 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.29 137.79 44.68 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.727 2.284 . . . . 74.11 113.78 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.544 ' HA ' HD13 ' A' ' 40' ' ' ILE . 60.2 p -63.64 -33.77 76.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.917 -0.583 . . . . 70.32 111.671 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.97 -49.84 38.64 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.262 0.553 . . . . 74.41 110.941 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.3 -42.09 99.07 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.888 -0.597 . . . . 73.35 111.182 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 37' ' ' THR . 73.8 mt -52.68 -42.92 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.342 0.591 . . . . 73.52 111.366 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.5 t -76.85 -33.63 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.928 -0.578 . . . . 72.45 112.097 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.511 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.8 OUTLIER -78.51 -33.34 48.11 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.571 0.582 . . . . 73.31 112.571 -176.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -69.13 147.6 97.54 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-O 121.002 0.43 . . . . 71.53 112.032 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.95 168.95 23.14 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.347 2.031 . . . . 72.01 111.713 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.62 -34.0 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 120.901 0.381 . . . . 74.32 111.735 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.49 -61.36 2.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.581 0.352 . . . . 73.5 111.597 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.96 -35.58 78.88 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.803 0.335 . . . . 70.22 111.773 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.26 -51.34 70.19 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.999 0.428 . . . . 75.51 111.433 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.24 -44.26 83.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.314 -0.403 . . . . 75.34 111.19 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 43.7 mt-10 -59.37 -46.6 88.22 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.078 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.84 -45.42 74.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.991 -0.549 . . . . 74.24 111.546 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.63 -30.41 70.68 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.304 0.483 . . . . 74.35 112.304 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.61 24.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.257 0.466 . . . . 72.12 112.257 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 90.4 mtt180 -69.71 -49.47 53.0 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -84.7 132.81 45.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 122.223 -0.298 . . . . 74.15 111.493 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.88 87.44 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.604 2.202 . . . . 73.2 112.826 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.557 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 81.6 mt -107.82 159.41 16.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.154 -0.475 . . . . 72.11 111.272 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.424 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 43.4 p -80.66 157.74 25.85 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.296 -0.261 . . . . 74.22 110.296 173.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.01 -37.46 45.28 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.847 0.356 . . . . 72.12 111.762 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -63.4 -41.54 98.74 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.404 -0.362 . . . . 74.52 111.49 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 55.3 mt-30 -64.67 -45.39 86.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.852 -0.158 . . . . 64.12 111.417 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.47 -42.0 86.5 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.904 0.383 . . . . 74.32 110.919 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.83 96.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.982 0.42 . . . . 72.34 111.175 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' ' 31' ' ' MET . 59.8 tp -56.76 -50.51 72.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.06 -0.518 . . . . 70.12 111.072 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.535 HG11 HD12 ' A' ' 40' ' ' ILE . 73.1 t -56.4 -37.0 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.216 -0.447 . . . . 74.33 111.609 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -67.95 -36.98 81.02 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 122.156 -0.34 . . . . 74.42 111.267 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -66.29 -42.31 88.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.853 0.359 . . . . 65.02 110.421 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 HD12 HG21 ' A' ' 37' ' ' THR . 76.7 mt -57.08 -46.61 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.095 0.474 . . . . 74.34 111.027 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -59.4 -45.05 92.58 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.137 0.494 . . . . 75.24 111.366 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -63.98 -48.65 75.59 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.135 -0.484 . . . . 74.23 112.046 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.402 ' NH2' HG12 ' A' ' 68' ' ' ILE . 23.1 ptt180 -76.88 -30.27 56.16 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.859 0.362 . . . . 73.12 111.759 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.12 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.171 -0.537 . . . . 72.01 112.794 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.15 -25.78 66.34 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 122.403 -0.469 . . . . 73.52 110.49 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -54.25 -31.94 54.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.996 0.426 . . . . 71.22 111.039 174.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.36 -40.37 74.4 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.11 0.481 . . . . 75.31 111.103 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.3 -18.25 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.921 -0.581 . . . . 74.32 111.721 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.66 -46.4 10.21 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.454 0.909 . . . . 62.0 113.454 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.5 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.099 0.407 . . . . 62.43 112.099 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.52 -33.15 31.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.909 0.385 . . . . 75.02 111.465 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.37 -17.98 59.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.006 0.431 . . . . 74.24 111.031 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 33.6 t80 -59.06 157.64 9.88 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.292 -0.413 . . . . 62.43 111.284 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 81' ' ' TYR . 25.7 mmt180 72.37 19.75 4.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.839 0.456 . . . . 72.24 112.101 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.34 120.96 35.35 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.503 -0.317 . . . . 71.54 110.158 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 -96.67 170.5 9.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.281 0.562 . . . . 75.1 112.459 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -92.35 107.82 19.5 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.807 -0.633 . . . . 73.14 110.079 171.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.6 mt -101.07 71.61 1.41 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.18 0.437 . . . . 73.34 112.18 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -83.77 149.05 26.69 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.181 0.515 . . . . 75.2 111.599 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 t -139.59 178.2 7.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.1 -0.5 . . . . 75.12 111.274 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.85 140.07 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.71 0.29 . . . . 71.23 111.249 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 131.49 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.933 0.397 . . . . 74.44 111.756 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 118.954 -0.546 . . . . 72.12 111.873 178.581 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.631 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 112.021 0.378 . . . . 63.41 112.021 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.14 113.57 2.93 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 121.094 -0.574 . . . . 70.45 113.03 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -87.47 85.96 7.18 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.105 0.479 . . . . 74.44 111.44 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -69.12 98.2 0.97 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.359 0.6 . . . . 73.04 112.369 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -108.1 104.62 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.971 -0.559 . . . . 70.22 111.052 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -98.63 152.32 19.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.894 0.378 . . . . 73.44 111.595 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -63.5 159.64 18.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.19 0.519 . . . . 74.42 112.396 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.65 -51.11 2.93 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.777 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -136.66 161.02 37.09 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.285 0.564 . . . . 72.15 112.147 -175.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -165.14 119.89 1.31 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.617 -0.72 . . . . 61.23 110.647 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -173.46 158.88 3.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.935 0.397 . . . . 75.24 111.826 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 138.72 43.56 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.964 0.411 . . . . 71.34 111.486 177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.556 ' HE2' ' HD2' ' A' ' 14' ' ' PRO . 14.5 mmmm -95.55 151.27 38.44 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.475 -0.33 . . . . 74.15 111.542 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.556 ' HD2' ' HE2' ' A' ' 13' ' ' LYS . 42.9 Cg_endo -67.06 136.82 42.28 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.583 2.189 . . . . 74.02 113.012 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 m -85.08 108.71 17.79 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.36 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.63 115.34 22.59 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 111.729 0.27 . . . . 75.4 111.729 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -111.65 171.54 7.43 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.711 0.291 . . . . 74.43 111.446 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.4 146.65 12.19 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 121.164 -0.541 . . . . 71.24 113.234 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -140.6 141.32 35.17 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.154 0.502 . . . . 73.31 111.924 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.79 155.07 45.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.875 -0.602 . . . . 61.13 110.962 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.6 83.98 0.34 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.957 -0.639 . . . . 71.35 114.133 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.47 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 42.0 t 177.75 153.07 0.27 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.956 0.408 . . . . 71.33 111.635 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -58.37 -40.75 83.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.167 0.508 . . . . 73.13 110.676 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -41.51 96.42 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.869 -0.605 . . . . 70.42 111.104 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.47 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 6.0 mm-40 -56.2 -40.27 73.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.81 -0.632 . . . . 74.25 111.149 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -59.04 -40.77 86.08 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.369 -0.378 . . . . 75.04 111.174 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.3 -44.69 94.29 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.05 0.452 . . . . 73.24 110.785 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.05 -58.14 9.99 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.934 -0.576 . . . . 73.24 112.087 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.16 -28.25 69.28 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.796 0.295 . . . . 70.24 111.796 -178.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.81 -37.15 86.65 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.948 0.404 . . . . 71.31 111.266 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.529 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.4 mmm -99.18 11.65 38.44 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.362 -0.381 . . . . 72.33 111.321 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 56.11 48.21 18.04 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.606 0.595 . . . . 72.23 112.606 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.6 mm -75.74 119.67 78.16 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.814 -0.63 . . . . 72.21 110.924 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -82.52 29.27 0.55 Allowed 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 122.889 2.393 . . . . 54.41 114.496 -175.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -157.16 144.6 13.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 111.833 0.309 . . . . 75.45 111.833 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.79 147.83 81.63 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 123.176 2.584 . . . . 73.3 114.065 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.545 ' HA ' HD13 ' A' ' 40' ' ' ILE . 69.1 p -71.81 -35.16 69.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.854 -0.612 . . . . 71.51 112.506 -177.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -56.88 -42.56 80.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.893 0.378 . . . . 73.13 110.992 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -60.79 -48.95 79.49 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.405 -0.361 . . . . 73.43 110.475 176.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.545 HD13 ' HA ' ' A' ' 37' ' ' THR . 80.1 mt -48.98 -46.55 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.221 0.534 . . . . 64.43 111.784 177.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.539 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 60.6 t -70.84 -40.82 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.931 -0.577 . . . . 74.13 112.427 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -90.09 -2.83 58.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.1 0.778 . . . . 75.32 113.1 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 27.8 mt -75.37 145.41 79.65 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 122.168 -0.332 . . . . 72.24 111.217 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 33.8 Cg_exo -58.7 160.7 16.84 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.397 2.065 . . . . 74.14 112.035 171.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.86 -40.23 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 72.34 110.97 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -53.96 24.72 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.038 -0.528 . . . . 73.31 111.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.534 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -62.38 -32.31 73.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.677 0.275 . . . . 72.33 111.719 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.56 -50.12 73.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.962 0.411 . . . . 75.32 110.977 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.58 -40.59 95.3 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.349 -0.387 . . . . 64.41 111.062 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.3 mm-40 -55.5 -47.96 75.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.955 0.407 . . . . 73.24 110.647 172.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.6 tp -51.24 -53.69 32.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.94 -0.573 . . . . 75.1 111.611 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 65' ' ' VAL . 84.4 mt -68.45 -21.98 64.61 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.379 0.511 . . . . 64.24 112.379 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.72 -19.6 34.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.088 0.47 . . . . 60.13 111.502 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 83.4 mtt180 -94.17 -28.67 15.53 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.134 0.42 . . . . 73.23 112.134 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -100.88 115.96 64.66 Favored Pre-proline 0 N--CA 1.471 0.619 0 N-CA-C 111.72 0.267 . . . . 73.34 111.72 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.33 75.81 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.627 2.218 . . . . 73.32 112.974 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.1 mt -94.2 158.2 15.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.994 -0.548 . . . . 74.11 111.325 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -80.26 157.91 26.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.526 -0.306 . . . . 70.15 110.831 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -43.33 -55.75 3.9 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.99 0.737 . . . . 74.32 112.99 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.4 m -54.94 -32.69 61.54 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.562 0.578 . . . . 64.01 112.562 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.2 mt-30 -70.98 -45.87 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.587 0.217 . . . . 74.41 111.587 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.0 mp -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.951 0.405 . . . . 74.21 110.588 176.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.14 73.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.088 -0.505 . . . . 63.15 111.113 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.529 HD22 ' HG3' ' A' ' 31' ' ' MET . 54.8 tp -71.21 -51.85 22.4 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.405 -0.361 . . . . 73.35 111.331 176.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.529 HG13 HD12 ' A' ' 40' ' ' ILE . 86.4 t -52.34 -45.2 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 112.206 0.447 . . . . 74.12 112.206 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -64.21 -35.29 80.33 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.898 0.38 . . . . 74.44 111.415 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 38.7 t70 -71.47 -36.34 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.757 0.313 . . . . 61.55 111.019 177.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 64' ' ' LEU . 75.3 mt -59.96 -44.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.75 0.31 . . . . 71.12 111.458 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.539 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 44.9 ttt-85 -58.87 -39.01 80.1 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.412 0.625 . . . . 72.5 110.207 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -64.95 -40.54 95.18 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.697 -0.683 . . . . 73.53 111.125 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 23.8 mtp180 -68.22 -28.06 66.91 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.917 -0.583 . . . . 71.54 112.105 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.1 -40.54 11.37 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.75 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -76.37 -24.91 54.18 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.857 0.688 . . . . 71.2 112.857 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -57.21 -33.39 67.47 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.959 -0.463 . . . . 70.44 111.821 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.32 -58.27 5.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.907 0.385 . . . . 74.41 111.108 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.54 -21.98 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.169 0.509 . . . . 63.44 111.553 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.41 70.02 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.352 -0.385 . . . . 63.12 111.328 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.47 63.14 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.99 0.424 . . . . 74.14 111.4 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -73.7 -36.92 65.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.078 0.466 . . . . 73.12 110.909 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -93.84 -3.12 52.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.996 -0.547 . . . . 74.51 111.975 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.65 120.14 16.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.172 0.511 . . . . 74.44 111.799 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -75.05 129.51 37.72 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.044 -0.525 . . . . 74.22 110.762 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -83.4 160.76 21.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.022 0.439 . . . . 72.21 111.617 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -73.33 150.16 42.07 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.185 0.517 . . . . 75.12 112.256 -178.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -83.32 137.66 33.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.889 -0.596 . . . . 75.43 110.262 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.24 160.21 22.01 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.302 0.572 . . . . 74.43 111.829 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.46 -164.07 0.37 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.691 -0.686 . . . . 72.14 111.407 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.5 p -50.68 116.8 2.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.355 -0.384 . . . . 74.34 111.631 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.3 mm -72.99 121.97 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 121.094 0.474 . . . . 72.32 111.818 -176.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.3 m -70.58 176.84 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 116.188 -0.46 . . . . 72.03 111.73 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.394 -0.812 . . . . 75.32 111.819 176.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.795 0.331 . . . . 74.13 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.73 -167.51 40.65 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.247 -0.433 . . . . 55.32 112.202 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -130.08 126.55 37.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 117.249 0.525 . . . . 75.43 111.594 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -86.25 113.01 21.92 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.986 0.422 . . . . 72.15 111.102 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -106.28 159.29 16.23 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.46 -0.336 . . . . 75.01 111.511 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -160.12 121.51 3.14 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.044 0.45 . . . . 73.12 111.86 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -121.68 135.59 54.96 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.554 0.342 . . . . 72.33 110.724 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -142.47 139.95 31.72 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.585 0.587 . . . . 74.13 112.585 -172.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -127.74 150.93 49.57 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.943 -0.571 . . . . 71.04 110.873 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -93.05 -69.66 0.74 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.787 0.327 . . . . 73.14 111.746 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.9 ttt -87.73 114.54 24.44 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.124 -0.36 . . . . 74.24 110.828 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.51 87.15 2.65 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.963 0.357 . . . . 65.3 111.963 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 65.21 137.36 0.05 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 112.617 0.599 . . . . 65.04 112.617 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.81 176.48 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.391 2.06 . . . . 52.3 112.512 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.4 m -150.56 121.19 7.48 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.089 -0.382 . . . . 73.24 111.291 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.86 158.49 15.49 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.231 0.539 . . . . 75.35 112.315 -176.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -115.94 133.21 56.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.824 -0.625 . . . . 72.13 110.992 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.47 98.66 0.24 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.915 -0.659 . . . . 42.01 113.152 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.28 152.39 22.95 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.849 0.357 . . . . 74.44 110.962 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.68 176.7 10.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.977 0.417 . . . . 74.23 111.835 -176.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.26 -54.06 0.31 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.007 -0.616 . . . . 71.51 113.955 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 m -72.51 157.65 37.2 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.67 0.619 . . . . 72.45 112.67 -172.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -56.31 21.52 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.239 -0.437 . . . . 63.54 111.48 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.93 ' HB3' HH22 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -54.45 -47.89 72.38 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.479 -0.328 . . . . 73.14 111.705 178.217 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -51.15 -46.91 62.17 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.871 0.367 . . . . 62.1 111.583 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -63.96 -35.55 81.05 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.922 0.342 . . . . 73.23 111.922 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -71.99 -37.46 69.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.843 0.354 . . . . 74.52 111.215 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -57.23 13.83 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 30' ' ' ALA . 3.9 pp -64.86 -26.28 68.26 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.456 -0.338 . . . . 74.02 111.836 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 29' ' ' LEU . . . -70.25 -43.24 70.94 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.947 0.404 . . . . 72.25 111.503 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.0 mmm -87.39 14.3 8.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.324 -0.398 . . . . 73.14 111.867 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 53.84 2.95 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.446 0.535 . . . . 74.11 112.446 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.48 112.37 55.09 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 116.628 -0.26 . . . . 72.44 110.458 174.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.09 -12.37 17.58 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.791 2.327 . . . . 75.22 114.441 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -113.9 144.17 30.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 120.801 0.334 . . . . 72.32 111.774 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.25 147.53 83.56 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.04 2.494 . . . . 73.52 114.023 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 40' ' ' ILE . 80.6 p -64.15 -33.23 75.31 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.74 -0.664 . . . . 74.31 112.107 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.93 -35.34 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.011 0.434 . . . . 64.42 111.487 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.4 ttmt -69.39 -42.64 74.85 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.939 0.4 . . . . 74.31 110.376 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.4 mt -55.1 -48.5 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 115.875 -0.602 . . . . 74.34 111.923 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.49 -35.77 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 112.624 0.602 . . . . 74.44 112.624 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.51 -2.68 58.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.638 0.977 . . . . 72.31 113.638 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.482 HD12 HD21 ' A' ' 51' ' ' LEU . 79.2 mt -88.79 136.92 30.32 Favored Pre-proline 0 N--CA 1.473 0.681 0 O-C-N 122.048 -0.407 . . . . 75.22 111.285 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.26 170.65 19.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.632 2.221 . . . . 74.33 112.106 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.17 -46.51 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.555 0.576 . . . . 64.01 112.555 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 9.0 m-20 -62.38 -63.16 1.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.57 -33.84 66.54 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.851 0.315 . . . . 74.51 111.851 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -62.83 -52.22 63.98 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.36 -0.382 . . . . 73.21 111.399 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -61.53 -29.55 70.07 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.114 0.483 . . . . 71.24 111.193 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 46.1 mt-10 -72.84 -40.97 65.31 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.666 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.482 HD21 HD12 ' A' ' 43' ' ' LEU . 49.5 tp -52.8 -48.01 67.19 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.083 0.468 . . . . 73.52 110.951 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -57.38 -37.44 72.67 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.987 -0.551 . . . . 73.34 111.772 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.32 -18.31 55.37 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.594 0.59 . . . . 60.23 112.594 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.8 mtp180 -89.18 -4.16 58.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.215 0.45 . . . . 74.35 112.215 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -129.7 137.48 31.01 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-O 120.593 0.235 . . . . 62.02 111.512 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.27 73.86 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.788 2.325 . . . . 43.41 112.63 178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.03 149.77 24.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.153 0.502 . . . . 71.41 111.635 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.5 p -85.83 157.69 20.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.365 -0.38 . . . . 75.13 110.522 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.14 -36.9 20.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.101 0.477 . . . . 72.23 111.434 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m -63.3 -42.55 99.04 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.04 -0.527 . . . . 72.52 111.321 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.437 ' O ' HG22 ' A' ' 65' ' ' VAL . 52.8 mt-30 -65.91 -45.47 81.79 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.607 -0.269 . . . . 73.34 111.235 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.28 -35.73 72.22 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.904 0.383 . . . . 73.25 110.884 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.54 89.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.758 0.313 . . . . 61.1 111.095 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.57 -47.8 83.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.462 -0.335 . . . . 74.22 111.846 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 61' ' ' GLN . 58.6 t -56.49 -42.5 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.052 0.453 . . . . 72.51 111.116 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -66.89 -36.77 83.05 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.247 -0.433 . . . . 75.35 111.796 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.67 -50.03 74.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.276 0.56 . . . . 72.35 110.984 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.46 -42.9 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.816 -0.629 . . . . 74.03 111.312 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -39.44 93.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.628 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.99 -61.32 2.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.91 0.386 . . . . 74.24 111.24 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.93 HH22 ' HB3' ' A' ' 24' ' ' ASP . 47.1 mtm105 -66.57 -36.7 83.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.543 -0.299 . . . . 74.13 111.654 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.55 -49.08 76.84 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.417 -0.42 . . . . 62.3 112.96 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -68.29 -34.6 76.45 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 122.254 -0.556 . . . . 71.0 110.437 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.33 -35.02 76.23 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.127 0.489 . . . . 72.25 110.697 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -59.12 -38.92 80.75 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.116 0.484 . . . . 75.45 111.009 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.16 -45.82 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-O 121.289 0.566 . . . . 74.2 111.142 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.37 -30.51 69.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.836 -0.62 . . . . 74.43 112.174 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.86 -31.73 50.6 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 112.352 0.501 . . . . 74.0 112.352 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -77.18 -22.97 51.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.99 0.424 . . . . 74.21 111.771 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -115.13 24.1 11.96 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.327 0.584 . . . . 71.12 110.266 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.26 -39.21 78.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.426 -0.806 . . . . 73.43 112.822 -175.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -59.29 97.71 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.259 0.552 . . . . 74.34 111.486 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -110.34 109.65 20.14 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.039 -0.528 . . . . 74.35 110.668 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -70.59 135.19 48.27 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.823 0.344 . . . . 73.25 111.259 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.24 176.66 9.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.922 0.391 . . . . 74.42 111.031 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -69.82 156.11 39.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.968 0.413 . . . . 72.44 111.738 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -74.21 138.7 43.88 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.534 -0.303 . . . . 73.3 110.458 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 t -165.22 165.54 19.58 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.241 0.46 . . . . 75.44 112.241 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.0 pt -132.38 179.15 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.194 -0.457 . . . . 74.4 110.961 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p -120.89 143.79 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.733 -0.212 . . . . 75.25 110.496 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.319 -0.848 . . . . 73.52 111.479 -174.236 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.684 0.278 . . . . 75.23 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.41 -139.1 10.79 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.319 -0.467 . . . . 51.4 112.119 -177.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 60.04 22.02 11.17 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.455 0.645 . . . . 71.23 111.181 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -125.16 133.4 52.81 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.097 -0.501 . . . . 75.24 110.96 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -132.56 129.2 38.72 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.036 0.446 . . . . 73.4 112.089 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -87.26 159.55 18.77 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.847 0.356 . . . . 52.03 111.224 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -154.67 34.92 0.4 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.31 0.576 . . . . 75.24 110.655 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -77.97 86.81 4.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.66 0.743 . . . . 74.42 111.582 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 p -95.94 158.52 15.41 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.801 -0.636 . . . . 70.43 111.06 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -155.81 131.69 9.88 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.762 0.315 . . . . 71.23 111.304 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.1 mtm -75.2 143.38 43.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.368 0.604 . . . . 55.44 112.048 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' H ' ' HG3' ' A' ' 56' ' ' PRO . . . -160.2 -175.31 4.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.609 -0.723 . . . . 75.34 110.305 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.94 144.39 44.87 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 120.619 0.247 . . . . 65.31 111.293 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.54 ' HA ' ' HB3' ' A' ' 34' ' ' PRO . 53.0 Cg_exo -56.95 112.64 1.16 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.801 2.334 . . . . 75.14 113.527 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.4 p -73.82 -31.12 63.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.132 0.491 . . . . 70.0 111.32 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.48 152.11 19.29 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.114 -0.494 . . . . 74.22 110.521 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -107.4 -38.98 5.79 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.21 0.529 . . . . 74.33 111.641 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.84 134.83 6.21 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 115.943 -0.572 . . . . 45.31 112.111 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -81.54 -19.54 41.87 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 122.375 -0.485 . . . . 73.43 111.118 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 64.71 23.37 12.75 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.436 0.532 . . . . 75.53 112.436 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.79 -52.31 2.65 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.932 -0.651 . . . . 70.5 112.569 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.1 m -80.02 147.02 31.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.268 0.556 . . . . 61.3 111.949 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -50.95 -38.79 52.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.687 -0.688 . . . . 73.55 112.457 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.91 -44.57 95.72 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 72.23 111.978 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 43.5 mt-10 -51.78 -43.35 62.99 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.207 0.447 . . . . 75.41 112.207 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -53.16 -28.7 27.57 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.843 0.312 . . . . 74.52 111.843 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 8.9 mpt_? -85.5 -42.71 14.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.14 0.495 . . . . 73.54 110.851 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.12 -53.58 56.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.033 -0.531 . . . . 62.34 111.886 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 4.1 pp -68.41 -30.23 69.08 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.918 0.34 . . . . 74.3 111.918 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -63.22 -32.84 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.104 0.478 . . . . 74.11 111.271 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.599 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 95.6 mmm -98.85 -14.6 19.56 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.152 -0.476 . . . . 71.43 111.345 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' HE2' ' HG2' ' A' ' 14' ' ' PRO . 52.7 mtpt 71.57 89.39 0.1 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.55 0.74 . . . . 74.13 112.091 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.1 mm -106.77 118.45 54.26 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.699 -0.682 . . . . 72.32 110.939 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.54 ' HB3' ' HA ' ' A' ' 14' ' ' PRO . 86.5 Cg_endo -78.65 18.75 0.93 Allowed 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.866 2.377 . . . . 73.44 114.661 -175.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -149.18 146.56 21.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 121.961 -0.462 . . . . 74.53 111.68 179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.04 150.85 84.86 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.923 2.415 . . . . 62.2 113.736 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.0 p -62.87 -35.95 81.68 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.622 -0.717 . . . . 75.33 112.737 -176.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.1 -43.71 95.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.942 0.401 . . . . 74.23 111.482 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -51.73 -42.04 61.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.287 0.565 . . . . 73.12 111.127 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.59 -43.1 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.603 -0.726 . . . . 75.0 112.654 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' A' ' 69' ' ' ARG . 42.6 t -88.47 -35.88 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 112.317 0.488 . . . . 73.43 112.317 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -79.71 -23.22 42.51 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.639 0.978 . . . . 75.2 113.639 -173.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.445 HD13 HD23 ' A' ' 51' ' ' LEU . 34.1 mt -66.45 142.54 97.76 Favored Pre-proline 0 N--CA 1.476 0.866 0 O-C-N 121.996 -0.44 . . . . 72.2 111.779 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 159.07 34.89 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.292 1.995 . . . . 43.31 112.044 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.41 -44.95 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 113.123 0.786 . . . . 74.32 113.123 -172.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.01 -55.54 33.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.939 0.4 . . . . 72.24 111.362 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.87 -25.03 68.09 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.487 -0.324 . . . . 75.45 111.866 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -67.92 -51.02 52.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.022 0.439 . . . . 74.32 110.809 174.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -60.99 -38.83 87.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.133 0.492 . . . . 74.31 110.786 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 55.2 mt-10 -73.54 -26.77 61.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.121 -0.491 . . . . 63.52 111.609 177.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD23 HD13 ' A' ' 43' ' ' LEU . 55.8 tp -52.69 -42.62 64.95 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.246 0.546 . . . . 75.13 110.68 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 mt -72.09 -18.86 61.88 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.54 -0.755 . . . . 72.23 112.02 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.53 -34.44 15.54 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.152 0.501 . . . . 72.03 111.671 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 96.6 mtt180 -74.62 -33.99 62.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.043 -0.526 . . . . 73.33 110.856 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -110.14 127.96 26.17 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.541 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.574 ' HG3' ' H ' ' A' ' 12' ' ' ALA . 57.8 Cg_endo -68.08 108.52 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.774 2.316 . . . . 65.14 113.325 -176.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.4 mt -130.17 148.91 52.06 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.031 0.443 . . . . 75.15 111.659 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -85.45 159.93 19.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.43 -0.35 . . . . 73.11 110.439 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.64 -50.04 7.53 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.387 0.884 . . . . 74.43 113.387 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 122.21 -0.306 . . . . 64.42 111.776 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.599 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 53.1 mt-30 -68.07 -40.65 82.69 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.586 0.232 . . . . 64.23 110.84 176.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.94 -44.04 97.82 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.17 0.51 . . . . 75.24 110.4 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.56 94.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.957 -0.565 . . . . 71.52 111.237 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.6 -50.14 72.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.245 -0.434 . . . . 74.42 111.449 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 61' ' ' GLN . 86.0 t -57.22 -44.68 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 120.978 0.418 . . . . 71.42 111.224 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.41 -27.69 68.72 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.824 0.345 . . . . 75.31 111.509 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.483 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 7.9 t70 -75.3 -44.69 44.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.88 0.371 . . . . 71.22 110.729 177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.76 -43.81 84.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.507 -0.315 . . . . 74.13 110.726 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.483 ' HA ' HG23 ' A' ' 41' ' ' VAL . 12.7 ttm180 -60.93 -37.25 81.64 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.644 0.259 . . . . 73.35 111.036 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 67' ' ' ASP . 30.7 ttm180 -60.51 -50.65 72.7 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.97 0.414 . . . . 74.24 111.01 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 24.9 mmm180 -67.53 -39.03 85.06 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.37 -0.377 . . . . 73.0 111.357 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -38.17 79.97 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.023 -0.608 . . . . 65.15 112.978 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.79 -30.95 71.85 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.63 -0.335 . . . . 75.13 110.971 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -33.83 69.6 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.984 0.421 . . . . 61.15 110.473 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -63.25 -45.89 89.45 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.068 -0.514 . . . . 75.41 111.44 175.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.415 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 47.2 t -73.76 -41.9 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.086 0.469 . . . . 63.45 111.749 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' O ' ' HB2' ' A' ' 81' ' ' TYR . . . -62.39 -24.57 67.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.284 -0.416 . . . . 73.24 112.071 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.29 -20.75 4.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.902 0.705 . . . . 74.21 112.902 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 4.1 pt20 -106.51 -46.53 3.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.372 0.508 . . . . 71.31 112.372 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.437 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 21.0 p30 -98.09 12.22 35.11 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.903 0.705 . . . . 73.31 112.903 -172.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 63.5 t80 -62.57 -19.16 63.41 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.826 0.346 . . . . 75.53 111.722 177.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -75.36 67.13 1.9 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.196 0.522 . . . . 72.13 111.138 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.9 tttm -94.3 138.02 32.77 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.358 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -79.65 174.68 11.34 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.002 0.429 . . . . 72.41 112.114 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 65.37 73.31 0.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.511 0.672 . . . . 73.25 111.708 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 86' ' ' LEU . 3.8 mp -109.34 179.73 4.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.912 -0.586 . . . . 61.4 110.438 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.07 112.4 12.47 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.117 0.484 . . . . 73.41 110.376 173.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.8 p -59.91 110.61 1.22 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.499 0.555 . . . . 75.14 112.499 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.41 132.62 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 120.882 0.373 . . . . 74.13 111.293 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.418 HG22 ' OE1' ' A' ' 91' ' ' GLN . 9.1 p -102.63 151.3 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 116.615 -0.266 . . . . 74.35 111.444 -175.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.418 ' OE1' HG22 ' A' ' 90' ' ' VAL . 2.8 mp0 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 122.933 0.493 . . . . 72.43 111.323 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.591 0.234 . . . . 72.44 111.266 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.04 -66.99 1.44 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.231 -0.509 . . . . 63.21 113.272 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -73.39 85.36 1.48 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.926 0.394 . . . . 74.51 110.93 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -79.59 -32.03 41.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.409 -0.359 . . . . 74.11 111.94 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -148.35 137.69 22.02 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.294 -0.254 . . . . 74.25 110.758 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -144.07 140.66 29.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.687 0.28 . . . . 65.32 111.551 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -71.55 150.84 44.38 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 74.3 111.617 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -78.5 178.49 7.72 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.231 -0.44 . . . . 74.01 111.538 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p -144.4 130.59 19.61 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.061 0.458 . . . . 74.41 112.175 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -142.02 157.03 45.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.533 0.333 . . . . 74.13 110.874 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.33 151.65 31.5 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 63.35 112.811 -176.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.62 106.29 3.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.898 -0.592 . . . . 75.31 110.794 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -76.41 112.44 21.38 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.984 0.421 . . . . 73.2 111.917 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -92.98 141.56 1.96 Allowed 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.124 2.549 . . . . 65.33 113.613 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.4 m -107.97 97.48 7.18 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.858 0.361 . . . . 72.31 110.426 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.26 32.16 2.28 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.798 0.666 . . . . 53.13 112.798 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -134.97 -179.67 5.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.927 0.394 . . . . 72.11 111.389 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.75 56.01 0.77 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.388 -0.685 . . . . 71.41 111.388 -173.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.77 130.58 54.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.587 0.355 . . . . 75.22 111.184 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . . . -172.19 -174.43 1.25 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.224 0.453 . . . . 74.0 112.224 -177.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.93 -50.83 0.19 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.702 0.641 . . . . 40.31 114.702 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 38.0 m -59.07 154.28 16.09 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.625 0.602 . . . . 73.12 112.625 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 35.7 ttm180 -46.79 -61.54 1.8 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.949 -0.569 . . . . 75.52 112.386 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.54 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.2 m-20 -61.97 -32.46 72.92 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.218 0.451 . . . . 74.43 112.218 -177.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.517 ' HG2' ' HB2' ' A' ' 22' ' ' SER . 56.8 mm-40 -58.3 -48.64 79.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.185 0.517 . . . . 63.12 110.446 171.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 22.3 mtm180 -66.06 -32.64 74.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.869 -0.605 . . . . 73.21 111.724 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.54 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 80.3 mtp180 -60.38 -45.17 94.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 74.44 110.161 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.02 -57.2 12.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.566 -0.743 . . . . 71.22 112.161 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.464 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.5 pp -64.76 -31.86 73.29 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.208 0.447 . . . . 64.23 112.208 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' HD11 ' A' ' 29' ' ' LEU . . . -64.27 -45.63 87.2 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.315 0.578 . . . . 73.03 110.851 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.532 ' HG3' HD23 ' A' ' 64' ' ' LEU . 95.6 mmm -81.16 0.9 34.28 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.319 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm 64.44 39.24 7.09 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.689 0.626 . . . . 73.45 112.689 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.75 118.89 62.1 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.293 -0.412 . . . . 72.43 111.09 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.31 24.75 0.72 Allowed 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 123.044 2.496 . . . . 74.24 114.939 -173.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -148.8 150.98 34.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 122.158 -0.339 . . . . 70.32 111.682 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.01 145.19 66.73 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 123.015 2.477 . . . . 74.41 114.255 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.493 ' HA ' HD13 ' A' ' 40' ' ' ILE . 67.5 p -70.55 -43.44 69.53 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.79 -0.641 . . . . 74.41 112.606 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.09 -45.44 61.49 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.747 0.308 . . . . 74.32 111.491 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -57.0 -49.33 76.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.677 0.275 . . . . 75.42 110.906 175.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.493 HD13 ' HA ' ' A' ' 37' ' ' THR . 77.1 mt -47.85 -47.9 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.223 0.535 . . . . 75.2 111.76 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.485 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 46.6 t -68.49 -37.89 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.918 -0.583 . . . . 73.11 111.929 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -93.73 2.39 56.28 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.186 0.809 . . . . 70.33 113.186 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 33.5 mt -80.45 141.28 52.67 Favored Pre-proline 0 N--CA 1.471 0.612 0 CA-C-O 120.997 0.427 . . . . 73.44 111.98 174.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.4 159.09 55.01 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.508 2.138 . . . . 73.11 111.24 170.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.87 -33.49 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.04 0.447 . . . . 75.53 111.747 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.0 -63.23 1.21 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.263 -0.426 . . . . 74.13 112.067 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.12 -30.75 70.84 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.081 0.4 . . . . 62.11 112.081 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.84 -54.23 45.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.812 0.339 . . . . 75.12 111.754 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.46 -33.27 67.78 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.965 0.412 . . . . 63.12 111.543 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.16 -39.39 63.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.472 -0.331 . . . . 74.21 111.272 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.5 tp -52.65 -47.29 67.21 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.006 0.431 . . . . 74.23 111.172 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -55.2 -47.26 75.53 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.955 -0.566 . . . . 72.12 111.798 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.88 -15.73 61.59 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.42 0.526 . . . . 72.24 112.42 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -83.81 -10.95 57.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.238 0.459 . . . . 75.33 112.238 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -118.89 152.36 51.55 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 120.847 0.356 . . . . 74.11 111.841 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.81 46.91 2.03 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 122.956 2.438 . . . . 64.42 113.155 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 80.9 mt -76.35 149.4 36.99 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.144 0.497 . . . . 73.41 111.92 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.0 p -90.18 161.77 15.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.122 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -53.61 -22.78 9.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.018 0.377 . . . . 72.54 112.018 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.7 m -80.69 -38.21 29.35 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.189 0.518 . . . . 74.41 110.942 174.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.463 ' O ' HG22 ' A' ' 65' ' ' VAL . 94.0 mt-30 -69.86 -43.26 72.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.325 0.491 . . . . 75.44 112.325 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.21 -34.4 70.35 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.033 0.444 . . . . 74.31 110.892 175.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -50.06 67.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.28 -0.418 . . . . 37.0 110.943 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.532 HD23 ' HG3' ' A' ' 31' ' ' MET . 52.1 tp -57.81 -46.08 85.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.45 -0.341 . . . . 74.13 111.787 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.482 HG11 HD12 ' A' ' 40' ' ' ILE . 93.2 t -56.77 -47.59 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.172 0.511 . . . . 50.33 111.348 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -71.39 -25.5 62.38 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.344 -0.389 . . . . 72.33 111.621 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.51 -56.86 6.16 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.885 0.374 . . . . 74.12 110.656 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.53 -36.77 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.234 -0.439 . . . . 75.3 111.007 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 36.7 ttt-85 -59.22 -41.92 89.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.067 0.46 . . . . 74.43 110.674 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.1 -48.13 74.77 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.176 0.512 . . . . 74.13 110.158 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -49.21 -34.44 14.8 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.655 -0.702 . . . . 73.32 112.112 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.03 -49.04 4.16 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.379 -0.439 . . . . 71.13 113.294 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -65.06 -21.51 66.83 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 122.316 -0.52 . . . . 73.03 111.999 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -60.23 -38.44 83.43 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.096 0.474 . . . . 65.24 110.805 170.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -70.35 -43.55 69.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.159 -0.473 . . . . 70.03 110.743 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.2 -43.82 98.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.153 -0.476 . . . . 74.54 111.602 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 81' ' ' TYR . . . -64.11 -25.44 68.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.351 0.5 . . . . 74.15 112.351 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.42 74.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.336 0.588 . . . . 74.34 110.851 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -77.36 -55.46 5.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.819 -0.628 . . . . 74.51 111.205 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -105.67 87.05 2.5 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.132 0.492 . . . . 72.12 111.195 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 54.8 t80 -122.62 135.56 54.64 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.937 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -162.97 133.91 4.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.916 0.389 . . . . 73.1 111.259 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.66 138.19 31.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.778 0.323 . . . . 74.21 111.148 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -159.75 142.16 13.53 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.837 0.351 . . . . 74.13 111.303 178.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -74.13 122.02 22.08 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.39 -0.368 . . . . 74.12 110.832 176.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.417 ' N ' HD21 ' A' ' 86' ' ' LEU . 3.2 mm? -64.97 106.74 1.31 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.883 0.373 . . . . 75.22 111.464 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -59.21 119.91 8.24 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.282 0.563 . . . . 73.33 112.075 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -86.94 91.56 8.73 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.934 0.397 . . . . 70.34 110.61 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.56 -61.41 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.381 -0.372 . . . . 74.12 111.442 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.01 144.28 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 120.783 0.325 . . . . 73.33 111.27 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.659 -0.686 . . . . 75.33 111.853 -177.634 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 2' ' ' GLY . 1.1 tmt? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.59 0.233 . . . . 52.45 110.994 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.44 ' N ' ' SD ' ' A' ' 1' ' ' MET . . . 92.59 141.01 10.06 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.312 -0.47 . . . . 60.12 113.732 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -82.84 122.86 28.77 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 122.662 -0.317 . . . . 72.41 110.542 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -59.38 -67.25 0.39 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.533 0.206 . . . . 71.45 111.131 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.6 t60 56.22 35.89 26.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.129 0.49 . . . . 72.14 111.74 172.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -76.03 117.84 18.16 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.95 0.352 . . . . 55.2 111.95 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -71.74 113.23 8.56 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.363 -0.38 . . . . 73.05 110.835 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -100.5 -43.62 6.14 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.619 0.229 . . . . 71.33 111.619 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -155.84 177.65 11.16 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.547 0.689 . . . . 64.15 112.714 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -152.54 122.91 7.21 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.468 -0.787 . . . . 71.34 110.345 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptm -95.57 142.66 27.64 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.092 0.472 . . . . 72.42 112.257 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.1 168.06 19.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.926 -0.579 . . . . 73.12 110.52 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.774 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 9.4 mmpt? -114.39 97.91 47.4 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 112.07 0.396 . . . . 74.24 112.07 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -93.66 143.21 1.89 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.451 2.767 . . . . 65.3 112.744 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 t -165.33 161.27 18.95 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.949 0.404 . . . . 71.04 111.607 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.74 106.38 18.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.331 -0.395 . . . . 71.24 110.964 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -67.29 100.42 0.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.144 0.497 . . . . 73.23 110.819 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.61 -177.63 46.67 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.989 -0.624 . . . . 65.11 113.428 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -169.25 -36.7 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.392 0.615 . . . . 75.25 109.85 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -170.15 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.975 -0.557 . . . . 61.23 111.571 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.3 -165.7 12.32 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.961 -0.638 . . . . 62.21 113.594 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 50.9 m -66.48 155.65 36.98 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.908 0.385 . . . . 73.44 111.654 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -60.13 -25.34 65.41 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.048 0.388 . . . . 73.43 112.048 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -43.01 70.63 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.514 0.197 . . . . 74.24 111.35 173.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 22' ' ' SER . 26.9 mm-40 -50.34 -41.62 51.74 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.067 0.461 . . . . 61.4 111.202 172.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -61.81 -27.7 68.94 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.403 0.52 . . . . 73.42 112.403 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.519 ' HB3' HD23 ' A' ' 64' ' ' LEU . 7.8 mpt_? -69.59 -44.67 70.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.104 0.478 . . . . 74.01 110.41 172.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -60.88 3.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.951 -0.568 . . . . 63.34 112.122 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -61.72 -26.05 67.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.276 0.472 . . . . 75.42 112.276 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' N ' HD13 ' A' ' 29' ' ' LEU . . . -70.59 -37.88 73.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 62.11 111.757 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.508 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.8 mmm -101.07 23.01 11.39 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.138 0.422 . . . . 72.31 112.138 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.57 36.6 19.8 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.352 0.501 . . . . 75.45 112.352 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -83.92 105.72 6.34 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 116.546 -0.297 . . . . 75.31 110.496 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.62 14.99 1.7 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.55 2.167 . . . . 73.32 114.616 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -132.62 143.42 48.65 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 122.015 -0.428 . . . . 74.5 111.625 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.73 150.97 79.36 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.112 2.541 . . . . 74.41 114.048 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.8 p -61.45 -28.81 69.54 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.3 -0.409 . . . . 72.04 111.714 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.35 -53.08 39.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 74.41 110.903 173.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -55.79 -43.81 77.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.978 -0.555 . . . . 74.24 111.267 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.74 -44.89 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 121.132 0.492 . . . . 73.03 111.935 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.19 -31.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 112.28 0.474 . . . . 74.23 112.28 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -77.77 -46.27 22.17 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.325 0.491 . . . . 75.14 112.325 -176.614 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.9 137.05 97.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.029 0.442 . . . . 75.52 112.188 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.99 171.77 15.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.519 2.146 . . . . 71.4 111.935 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.09 -30.93 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.944 0.402 . . . . 75.34 111.133 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.98 -62.55 1.58 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.964 -0.562 . . . . 72.24 111.283 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -70.25 -30.65 67.76 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.413 -0.358 . . . . 71.32 111.755 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -58.3 -48.74 79.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 74.1 111.373 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.31 -42.63 87.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.213 0.53 . . . . 70.44 111.399 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.0 mm-40 -72.05 -33.53 68.04 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.074 -0.512 . . . . 61.34 111.444 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.5 tp -59.45 -52.54 65.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.205 0.526 . . . . 73.51 110.49 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.428 HD23 HG13 ' A' ' 65' ' ' VAL . 84.2 mt -63.64 -19.25 64.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.613 -0.722 . . . . 75.43 111.738 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.67 -32.12 18.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.888 0.329 . . . . 72.31 111.888 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 88.5 mtt-85 -72.01 -42.48 66.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.002 0.429 . . . . 63.15 111.491 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -86.19 143.37 36.9 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.391 -0.368 . . . . 74.42 110.922 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.87 43.4 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.912 2.408 . . . . 65.13 113.197 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.51 148.14 48.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.171 0.51 . . . . 72.13 111.744 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.1 p -92.1 161.76 14.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.078 -0.51 . . . . 70.43 110.353 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -47.77 -42.7 26.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.853 0.359 . . . . 73.14 111.957 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 m -57.39 -35.48 70.06 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.077 0.465 . . . . 74.04 111.412 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.5 mt-30 -77.36 -46.93 21.25 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.659 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.4 -46.13 80.28 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.852 0.358 . . . . 71.4 111.282 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.44 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.279 -0.418 . . . . 73.34 111.686 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.519 HD23 ' HB3' ' A' ' 27' ' ' ARG . 57.8 tp -64.5 -46.63 82.12 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.727 0.298 . . . . 63.03 111.566 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -54.26 -37.01 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.083 0.468 . . . . 72.54 111.058 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -62.88 -47.62 82.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.323 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.79 -42.26 97.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.23 111.134 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.27 -45.55 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.306 -0.406 . . . . 74.32 111.326 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.6 ttt85 -60.42 -45.31 94.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.794 0.33 . . . . 72.45 111.722 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.11 -54.43 41.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.384 -0.371 . . . . 74.15 111.415 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 71' ' ' ARG . 44.2 mtp180 -69.68 -33.01 71.96 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.011 0.374 . . . . 74.52 112.011 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -49.29 52.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 121.203 -0.522 . . . . 74.0 113.137 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 76' ' ' VAL . 32.0 ttmt -74.53 -20.85 59.81 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 122.482 -0.422 . . . . 74.43 111.417 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.55 -34.31 61.62 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.006 0.431 . . . . 74.11 110.906 174.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.11 -42.94 99.44 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.852 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.518 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 11.7 p -78.47 -29.83 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.033 -0.417 . . . . 75.12 111.126 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.11 -8.62 54.68 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.062 0.393 . . . . 64.12 112.062 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.78 -28.35 69.39 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.166 0.432 . . . . 71.24 112.166 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 29.3 pt20 -70.89 -45.76 63.77 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.004 0.43 . . . . 74.41 111.327 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -86.67 11.02 13.91 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.281 0.563 . . . . 74.53 111.374 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.91 -26.23 64.06 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.914 -0.585 . . . . 71.31 111.008 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 82' ' ' ARG . 23.2 mmt180 -75.95 105.58 7.06 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.228 0.537 . . . . 75.15 111.708 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -150.07 -172.96 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.61 -0.723 . . . . 73.25 110.202 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -66.34 125.81 26.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.912 0.387 . . . . 74.45 111.384 175.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -75.37 85.25 2.51 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.089 0.471 . . . . 71.54 110.467 175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.63 159.18 32.52 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.464 -0.334 . . . . 75.24 110.734 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.7 84.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.089 0.471 . . . . 74.33 111.502 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.484 ' O ' HG21 ' A' ' 88' ' ' THR . 22.6 m -90.97 20.54 4.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.418 0.628 . . . . 74.03 110.453 175.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.1 mt 72.14 -33.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.294 0.638 . . . . 73.05 112.609 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.4 m -61.48 143.65 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.241 0.543 . . . . 75.4 112.422 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--O 1.253 1.248 0 CA-C-N 115.91 -0.586 . . . . 50.53 112.157 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.51 0.195 . . . . 74.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.23 139.49 47.59 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.304 -0.474 . . . . 75.31 113.595 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.01 137.28 56.99 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.544 0.572 . . . . 71.2 112.544 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 62.93 18.0 10.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.082 0.771 . . . . 74.45 113.082 172.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.15 107.7 15.89 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.79 -0.569 . . . . 61.53 111.529 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -69.12 84.71 0.35 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.35 0.595 . . . . 75.33 112.128 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -144.13 116.22 8.39 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.133 0.492 . . . . 73.54 111.753 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -151.08 131.36 13.62 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.821 -0.627 . . . . 70.12 110.164 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -80.53 125.49 30.05 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.23 0.456 . . . . 64.33 112.23 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.16 120.89 9.21 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.379 -0.373 . . . . 72.23 111.556 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.4 mmt -80.47 117.43 21.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.674 0.273 . . . . 74.1 111.077 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.13 104.59 8.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 112.92 0.711 . . . . 74.23 112.92 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 56.17 98.53 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 113.854 1.057 . . . . 75.42 113.854 173.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.08 116.13 2.73 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.219 2.612 . . . . 73.33 112.341 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.9 t -126.69 171.73 10.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.757 0.313 . . . . 72.25 111.615 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.66 23.12 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.319 0.489 . . . . 64.32 112.319 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -100.09 -13.62 18.93 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.402 -0.363 . . . . 75.25 111.776 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.56 137.02 6.34 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 120.726 -0.749 . . . . 64.34 114.844 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -103.88 -9.82 18.66 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.06 0.544 . . . . 75.41 110.312 173.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 25' ' ' GLU . . . 76.09 138.66 0.06 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.678 0.791 . . . . 75.02 111.706 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.49 -51.51 1.21 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 121.171 -0.537 . . . . 37.12 113.906 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.434 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 14.3 m -62.68 143.8 57.0 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 122.615 -0.344 . . . . 71.32 111.356 -177.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtt180 -60.27 -37.29 79.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.862 0.363 . . . . 62.54 111.226 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.327 -0.397 . . . . 40.03 111.307 175.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.611 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 45.0 mt-10 -53.8 -48.69 69.57 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.987 0.422 . . . . 60.44 111.297 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 54.8 mmm-85 -57.8 -29.28 64.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.992 -0.549 . . . . 72.23 111.706 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HB3' HD13 ' A' ' 64' ' ' LEU . 90.9 mtt180 -78.24 -42.19 31.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.193 0.52 . . . . 63.3 110.822 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.37 61.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.891 -0.595 . . . . 73.41 111.867 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.55 -22.75 66.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.93 0.395 . . . . 75.04 111.933 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.17 63.53 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.918 0.389 . . . . 55.54 111.688 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.3 mmm -106.21 14.02 28.13 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 111.969 0.359 . . . . 73.34 111.969 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mttp 60.28 38.66 19.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.109 0.781 . . . . 74.14 113.109 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.7 mm -65.27 115.5 22.12 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 120.525 0.202 . . . . 72.04 110.878 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -86.25 21.89 1.02 Allowed 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.06 2.507 . . . . 65.32 114.568 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.436 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 33.6 p90 -147.08 154.36 46.39 Favored Pre-proline 0 N--CA 1.472 0.635 0 O-C-N 122.035 -0.416 . . . . 64.04 111.723 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 22.4 Cg_endo -59.63 137.38 76.97 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.225 2.617 . . . . 73.12 114.482 -173.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 -40.25 84.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.779 -0.646 . . . . 71.02 111.862 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.72 -36.16 66.91 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.965 0.412 . . . . 74.32 111.432 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.37 -41.34 98.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.776 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.55 -35.73 60.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.358 0.599 . . . . 74.12 111.212 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.71 -40.82 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 115.762 -0.654 . . . . 54.44 112.308 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -89.03 -17.6 29.03 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.35 0.87 . . . . 70.25 113.35 -170.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.47 136.3 45.89 Favored Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 121.909 -0.494 . . . . 74.1 111.144 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.3 157.34 62.25 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.017 1.811 . . . . 64.52 112.048 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.17 -32.53 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.112 0.482 . . . . 73.41 112.128 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.18 -55.93 28.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.169 -0.468 . . . . 72.31 111.83 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -30.17 64.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.392 -0.367 . . . . 74.02 111.312 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -53.26 -45.37 68.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.921 0.391 . . . . 71.43 111.431 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.56 -40.93 84.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.23 -0.441 . . . . 71.23 111.469 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 47.3 mt-10 -68.41 -40.15 81.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.931 0.396 . . . . 72.11 111.202 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.25 -46.9 76.05 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.103 0.478 . . . . 72.43 111.144 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.46 -31.09 71.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.968 -0.56 . . . . 64.54 112.067 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.34 -20.69 40.11 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.323 0.49 . . . . 72.34 112.323 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -83.92 -39.9 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.374 0.509 . . . . 63.03 112.374 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -95.64 131.6 29.08 Favored Pre-proline 0 N--CA 1.472 0.632 0 N-CA-C 112.34 0.496 . . . . 74.04 112.34 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.43 90.16 0.22 Allowed 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.654 2.236 . . . . 71.3 112.562 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 85.6 mt -114.04 148.86 36.31 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.068 0.461 . . . . 73.31 111.851 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.1 p -84.68 159.77 20.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.369 -0.378 . . . . 64.2 110.212 171.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -49.81 -37.7 31.46 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.974 0.416 . . . . 71.42 111.746 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 m -63.34 -37.35 86.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.217 -0.447 . . . . 62.34 111.479 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.424 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.9 mt-30 -72.6 -44.6 61.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.563 -0.29 . . . . 74.42 111.669 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.27 -42.99 74.27 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.628 0.251 . . . . 72.53 111.033 176.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.71 -48.44 66.63 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.876 0.37 . . . . 64.54 111.594 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.441 HD13 ' HB3' ' A' ' 27' ' ' ARG . 68.6 tp -61.58 -49.83 75.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.551 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -55.66 -40.78 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.238 0.542 . . . . 73.24 111.244 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -61.71 -45.49 93.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.056 -0.52 . . . . 74.14 111.34 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.47 -46.14 87.55 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.404 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.0 -44.09 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.307 -0.406 . . . . 74.45 111.527 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -54.89 -50.91 67.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.938 0.399 . . . . 73.15 111.006 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -62.08 -49.84 74.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.211 -0.449 . . . . 74.44 111.747 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.67 -53.2 59.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.025 0.44 . . . . 74.15 111.313 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.17 96.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.123 -0.489 . . . . 72.5 113.407 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 1.7 tpmt? -61.3 -33.05 72.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.793 0.33 . . . . 75.14 111.616 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.19 -15.79 37.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.045 0.387 . . . . 74.24 112.045 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.612 ' HZ1' ' HB2' ' A' ' 75' ' ' LYS . 4.5 ttmp? -62.81 -31.31 72.28 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.339 0.59 . . . . 73.12 110.721 173.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG11 HE21 ' A' ' 79' ' ' GLN . 48.6 t -81.71 -24.57 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.915 -0.584 . . . . 75.33 111.46 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.22 30.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.834 0.679 . . . . 72.11 112.834 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.23 94.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.992 0.425 . . . . 64.51 111.895 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.45 HE21 HG11 ' A' ' 76' ' ' VAL . 13.9 pt20 -84.6 -12.71 53.52 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.792 0.329 . . . . 63.14 111.528 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -104.19 5.62 35.04 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.029 0.442 . . . . 72.25 110.79 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -51.54 -42.94 62.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.181 0.808 . . . . 73.12 113.181 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -68.06 86.36 0.25 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.482 0.658 . . . . 70.22 112.345 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -101.64 113.72 27.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.728 -0.669 . . . . 75.21 110.286 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 84' ' ' ARG . 7.7 tpt180 -126.54 64.87 1.26 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.407 0.622 . . . . 74.12 111.299 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -140.5 101.02 4.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.029 -0.532 . . . . 74.02 111.395 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 tp -93.39 77.17 4.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.373 0.606 . . . . 74.41 110.111 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -130.18 101.0 5.6 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.966 -0.561 . . . . 75.24 110.469 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 p 49.05 29.11 2.3 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.364 0.666 . . . . 73.23 112.687 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.1 mm -64.13 -53.68 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 120.882 0.372 . . . . 74.32 111.945 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.97 95.11 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 121.092 0.472 . . . . 75.34 111.434 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--O 1.254 1.323 0 CA-C-O 118.407 -0.806 . . . . 73.13 111.204 178.111 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 120.72 0.295 . . . . 63.02 111.303 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.19 147.32 15.25 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 121.149 -0.548 . . . . 72.24 112.785 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.57 105.94 14.65 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.224 -0.574 . . . . 74.42 111.647 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -73.16 -175.92 1.99 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.803 0.335 . . . . 75.34 111.097 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -86.44 143.21 27.9 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.985 0.422 . . . . 72.22 111.73 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -137.18 115.09 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.269 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -97.55 136.66 37.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.045 0.45 . . . . 74.33 112.064 -177.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -134.22 152.93 52.08 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.166 -0.47 . . . . 74.12 110.96 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -65.33 142.24 58.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.08 0.466 . . . . 73.21 111.83 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.41 125.04 22.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.14 -0.482 . . . . 71.23 111.492 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtt 68.74 21.08 7.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.002 0.741 . . . . 72.13 113.002 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.95 25.28 0.37 Allowed 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.016 0.436 . . . . 52.32 111.499 174.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 7.4 mtpm? -121.97 93.01 48.8 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 122.777 0.431 . . . . 72.44 110.904 -176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.32 -170.93 0.36 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.029 2.486 . . . . 52.12 113.335 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 t -128.93 129.71 45.82 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.007 0.432 . . . . 75.15 111.646 176.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.2 151.19 22.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.268 -0.424 . . . . 55.13 112.008 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -153.34 164.47 38.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.452 -0.34 . . . . 74.32 111.245 -177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.91 -127.07 3.75 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.446 -0.407 . . . . 61.11 112.494 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 67.41 95.0 0.06 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.002 0.429 . . . . 72.2 112.13 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.0 2.03 37.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 64.04 111.49 174.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.4 70.67 1.05 Allowed Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.333 -0.46 . . . . 75.23 113.251 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.493 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 44.8 t -153.32 179.14 9.03 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.493 0.664 . . . . 71.44 111.874 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -80.53 -40.0 26.8 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.778 -0.646 . . . . 74.1 111.134 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.77 -32.78 72.77 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.976 -0.556 . . . . 70.21 111.987 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 19.5 mm-40 -48.54 -38.69 21.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.51 0.559 . . . . 55.03 112.51 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -52.21 -36.01 50.96 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.924 0.713 . . . . 75.31 112.924 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -37.43 47.39 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.749 0.309 . . . . 74.11 111.439 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -50.94 69.21 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.065 0.46 . . . . 74.21 111.781 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.27 -23.14 61.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.495 0.554 . . . . 73.14 112.495 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.5 33.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.878 0.371 . . . . 54.42 111.983 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.526 ' HG3' HD21 ' A' ' 64' ' ' LEU . 94.7 mmm -108.4 9.84 27.59 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 111.889 0.329 . . . . 65.3 111.889 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.46 72.19 0.54 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.179 0.514 . . . . 73.45 112.359 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 105.95 45.68 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.528 -0.305 . . . . 63.02 110.494 174.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.13 20.61 0.64 Allowed 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.833 2.355 . . . . 62.43 114.273 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -146.67 139.5 14.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-O 120.88 0.371 . . . . 61.42 111.161 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -62.36 141.53 87.61 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.89 2.393 . . . . 73.3 113.756 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.411 ' HA ' HD11 ' A' ' 40' ' ' ILE . 58.6 p -53.86 -33.62 56.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.158 -0.474 . . . . 73.33 112.014 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.42 -48.45 62.67 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.876 0.37 . . . . 74.43 111.406 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.85 -45.73 91.5 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.937 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.411 HD11 ' HA ' ' A' ' 37' ' ' THR . 68.6 mt -52.45 -36.24 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.143 -0.48 . . . . 75.35 112.269 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.63 -46.22 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.674 0.62 . . . . 74.41 112.674 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -78.29 -13.88 59.66 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.606 0.965 . . . . 71.43 113.606 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 43' ' ' LEU . 21.4 mt -65.48 145.63 99.04 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-O 121.055 0.455 . . . . 70.42 111.963 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.25 146.84 82.39 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.172 1.915 . . . . 72.34 111.089 168.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -49.19 -38.69 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 112.972 0.73 . . . . 70.23 112.972 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.12 -52.79 53.22 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.016 -0.428 . . . . 62.43 111.99 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.38 -23.85 67.59 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.752 0.31 . . . . 52.15 111.489 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -65.86 -50.61 63.92 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.891 0.377 . . . . 73.13 110.741 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.16 -36.69 82.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.768 0.318 . . . . 71.24 111.113 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.518 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.7 mm-40 -60.65 -46.97 88.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 74.01 110.849 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.5 tp -49.83 -52.75 30.02 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.141 -0.481 . . . . 74.0 111.571 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.79 -25.26 66.38 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.114 -0.493 . . . . 73.01 111.995 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.92 -13.83 43.64 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 111.914 0.339 . . . . 72.2 111.914 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 21.5 mtp180 -94.25 -48.16 6.3 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 111.901 0.334 . . . . 74.25 111.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -78.83 136.73 58.32 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.787 0.292 . . . . 72.12 111.787 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.89 47.61 2.39 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.019 2.48 . . . . 64.42 113.031 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -72.0 152.79 42.2 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.006 0.431 . . . . 64.24 111.638 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -81.37 159.64 24.31 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.361 -0.381 . . . . 75.15 110.97 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -49.24 -48.25 45.84 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.541 0.571 . . . . 74.44 112.541 -176.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -54.12 -33.59 58.17 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.761 0.315 . . . . 53.41 111.763 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -75.99 -46.16 30.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.377 -0.374 . . . . 73.22 111.685 -178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.52 -47.01 85.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.817 0.342 . . . . 74.21 110.954 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.91 -40.16 72.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.998 0.427 . . . . 71.53 111.31 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 HD21 ' HG3' ' A' ' 31' ' ' MET . 53.2 tp -62.83 -56.55 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.255 177.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.1 t -53.62 -44.31 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 120.919 0.39 . . . . 70.53 111.847 -178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -58.68 -35.73 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.361 -0.381 . . . . 74.25 111.576 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.3 -30.08 30.76 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.914 0.388 . . . . 60.13 111.345 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 64' ' ' LEU . 65.0 mt -62.35 -42.39 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 75.15 110.955 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -61.66 -34.96 76.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.945 0.402 . . . . 73.01 110.818 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -61.95 -59.91 4.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 70.41 111.441 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -66.92 -41.01 87.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.459 . . . . 75.22 111.272 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.39 97.48 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.829 -0.623 . . . . 51.52 113.209 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HA ' HG13 ' A' ' 76' ' ' VAL . 36.7 ttpt -79.58 -25.59 41.53 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.043 -0.68 . . . . 75.52 111.332 177.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.89 -48.18 77.66 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.209 0.528 . . . . 72.2 110.884 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.83 -28.32 68.9 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.441 0.534 . . . . 75.12 112.441 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 12.9 p -95.84 -42.77 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.863 0.69 . . . . 75.34 112.863 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . . . -71.91 -4.85 30.6 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.799 0.666 . . . . 73.21 112.799 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.14 52.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.244 0.461 . . . . 75.15 112.244 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 4.1 pp0? -78.16 -33.51 50.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.529 0.566 . . . . 75.33 112.529 -176.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.441 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 4.1 p-10 -88.69 13.38 12.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.615 0.598 . . . . 64.51 112.615 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -89.54 154.54 19.93 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.64 0.257 . . . . 74.41 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -79.62 -66.12 0.91 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.16 0.43 . . . . 73.54 112.16 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.05 115.34 11.16 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.32 0.581 . . . . 74.31 111.297 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.474 HH12 ' HA ' ' A' ' 79' ' ' GLN . 18.1 tpp180 -93.94 147.44 23.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.823 -0.626 . . . . 74.41 112.188 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -68.63 80.17 0.28 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.104 0.478 . . . . 74.24 109.73 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 pp -77.53 172.21 13.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.369 0.604 . . . . 63.34 112.621 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.38 177.1 8.13 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.843 -0.617 . . . . 73.41 111.472 -175.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 t -156.18 115.95 3.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.154 0.502 . . . . 75.23 110.954 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 40.1 pt -79.95 156.87 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.001 0.429 . . . . 72.43 111.833 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.4 p -74.15 163.13 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 116.386 -0.37 . . . . 70.11 111.057 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.257 1.466 0 CA-C-O 119.047 -0.502 . . . . 71.51 111.449 179.5 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.366 0.126 . . . . 61.04 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.77 173.59 32.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.594 -0.812 . . . . 71.42 113.685 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -134.9 169.02 18.03 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.83 0.452 . . . . 73.12 110.75 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -92.06 133.61 35.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.897 0.379 . . . . 75.41 110.974 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -92.94 141.28 28.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.258 0.836 . . . . 71.55 113.258 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -123.0 144.71 49.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.479 -0.782 . . . . 71.34 109.359 169.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -122.58 -10.85 8.33 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.243 0.831 . . . . 74.04 113.243 -171.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -81.58 90.9 6.31 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.773 -0.58 . . . . 75.13 112.476 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -166.95 127.2 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.965 0.412 . . . . 73.54 111.365 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -122.4 140.24 52.93 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.038 0.447 . . . . 73.31 112.078 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.1 ttp -78.78 56.38 1.88 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 121.467 0.651 . . . . 74.54 110.242 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.63 10.34 33.14 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.621 0.6 . . . . 64.54 112.621 -175.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -97.85 135.31 21.57 Favored Pre-proline 0 CA--C 1.541 0.601 0 O-C-N 122.273 -0.267 . . . . 72.14 110.538 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.34 164.03 0.22 Allowed 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.117 2.545 . . . . 63.53 114.189 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -49.68 129.4 19.55 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.147 0.795 . . . . 72.03 113.147 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.4 -23.66 54.05 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.99 -0.55 . . . . 71.24 111.682 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.502 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 4.7 mpt_? -95.51 92.4 6.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.838 0.351 . . . . 74.31 110.519 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.53 49.68 0.29 Allowed Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.971 -0.633 . . . . 70.42 112.996 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -86.56 104.94 16.48 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 122.417 -0.461 . . . . 72.11 111.192 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.49 176.85 8.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 54.33 111.506 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.58 155.48 30.01 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 121.014 -0.612 . . . . 73.42 113.357 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -75.41 -177.74 3.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.032 0.444 . . . . 73.21 111.705 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -56.69 -55.79 29.67 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.926 0.393 . . . . 71.33 111.299 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.12 -34.28 74.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.082 -0.508 . . . . 64.14 111.573 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.77 -48.64 76.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.462 -0.336 . . . . 62.03 111.558 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -60.98 -28.58 69.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.854 0.359 . . . . 75.54 111.456 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.535 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 3.1 mmp_? -71.43 -40.23 70.54 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.07 0.462 . . . . 74.41 110.594 173.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB2' ' HB ' ' A' ' 33' ' ' ILE . . . -61.99 -55.04 33.36 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.867 -0.606 . . . . 62.53 111.615 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.15 -21.03 65.83 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.219 0.452 . . . . 63.33 112.219 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.43 97.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.169 0.509 . . . . 71.51 110.842 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.3 mmm -92.65 9.11 36.22 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.099 -0.501 . . . . 65.22 110.809 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 54.66 65.64 1.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.616 -0.72 . . . . 72.43 112.561 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 47.4 mm -94.63 113.42 61.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.519 -0.764 . . . . 75.02 110.562 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.06 30.19 0.54 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.814 2.343 . . . . 71.24 114.527 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -152.27 151.67 27.92 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 111.825 0.306 . . . . 72.23 111.825 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -66.84 142.8 64.34 Favored 'Trans proline' 0 N--CA 1.484 0.956 0 C-N-CA 123.127 2.552 . . . . 73.04 114.229 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.5 ' HA ' HD13 ' A' ' 40' ' ' ILE . 79.6 p -65.88 -43.08 89.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.068 -0.514 . . . . 72.42 112.17 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 -40.39 76.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.327 0.491 . . . . 71.15 112.327 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.0 ttmt -60.46 -46.57 89.57 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.225 -0.297 . . . . 75.31 111.167 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.521 HD12 HG13 ' A' ' 65' ' ' VAL . 64.7 mt -49.39 -41.15 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.437 0.637 . . . . 54.41 111.336 177.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' HA3' ' A' ' 72' ' ' GLY . 58.7 t -67.98 -33.88 63.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.468 -0.787 . . . . 75.23 112.454 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -93.65 -5.84 47.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.805 0.668 . . . . 73.35 112.805 -175.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 82.6 mt -80.24 142.34 54.81 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 111.672 0.249 . . . . 74.32 111.672 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.05 154.73 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.355 2.036 . . . . 73.34 111.415 172.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.3 -34.41 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 112.327 0.492 . . . . 64.21 112.327 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.54 -62.46 1.71 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.105 0.478 . . . . 63.45 111.446 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.27 -24.93 67.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.369 -0.378 . . . . 72.42 111.912 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.47 -47.96 79.63 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.132 0.491 . . . . 73.51 110.393 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.8 -45.81 92.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.992 -0.549 . . . . 75.42 110.87 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 28.1 mm-40 -60.07 -40.2 88.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.304 -0.407 . . . . 71.25 111.326 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.18 -51.46 69.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.95 0.405 . . . . 74.22 111.254 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.429 HD21 ' HG ' ' A' ' 62' ' ' LEU . 93.8 mt -65.32 -28.81 69.57 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.42 34.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.936 0.347 . . . . 72.23 111.936 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -65.55 -54.12 32.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.804 0.335 . . . . 73.12 111.354 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.25 135.67 47.21 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 116.456 -0.338 . . . . 73.31 111.161 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.32 50.52 2.3 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.753 2.302 . . . . 72.31 113.392 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 62.7 mt -75.35 140.49 43.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.674 0.274 . . . . 75.41 111.19 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.0 p -78.0 157.26 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.24 -0.287 . . . . 71.04 110.306 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.23 -34.5 10.3 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.539 0.57 . . . . 54.3 112.539 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -60.72 -43.92 97.26 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.026 0.441 . . . . 65.32 111.394 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.5 mt-30 -67.17 -42.76 83.71 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.322 -0.399 . . . . 54.31 111.183 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 7.3 mp -59.09 -42.66 90.97 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.624 0.25 . . . . 75.32 110.884 175.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.36 65.23 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.89 0.376 . . . . 63.34 111.606 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' ' 68' ' ' ILE . 64.7 tp -69.42 -51.7 33.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.463 -0.335 . . . . 72.32 111.142 175.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.521 HG13 HD12 ' A' ' 40' ' ' ILE . 61.8 t -55.11 -44.67 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 120.935 0.398 . . . . 74.11 111.792 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 39.7 mtp-105 -57.19 -42.15 80.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.129 0.49 . . . . 72.21 110.983 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.39 -41.46 89.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.974 -0.557 . . . . 75.23 110.855 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 37' ' ' THR . 81.7 mt -56.11 -43.63 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.917 0.389 . . . . 72.3 111.471 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -58.45 -40.31 82.28 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.361 -0.381 . . . . 64.35 110.81 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -66.1 -41.94 89.92 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.784 0.326 . . . . 61.41 111.051 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -53.08 -51.21 62.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.861 0.465 . . . . 75.42 112.009 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.455 ' HA3' HG23 ' A' ' 41' ' ' VAL . . . -75.59 -44.49 20.77 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.126 -0.559 . . . . 63.14 113.541 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.16 -23.11 67.28 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.459 -0.436 . . . . 70.02 111.263 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.34 -43.15 70.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.375 -0.375 . . . . 72.44 110.976 173.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.66 -39.81 81.68 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.205 0.526 . . . . 75.2 110.697 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.7 t -69.5 -40.16 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.937 -0.574 . . . . 75.31 110.923 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.72 65.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.927 0.394 . . . . 75.23 111.578 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.68 -44.04 35.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.947 0.403 . . . . 74.4 111.753 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.97 -41.7 61.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.991 0.367 . . . . 71.25 111.991 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -97.81 27.82 4.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.149 0.426 . . . . 64.24 112.149 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -73.8 -63.47 1.2 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.903 0.383 . . . . 73.4 111.661 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -83.22 104.41 13.37 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.446 -0.343 . . . . 71.14 110.102 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 2.2 tmmt? -124.73 93.26 3.84 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.698 0.999 . . . . 70.55 113.698 -168.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 12.5 mmp_? 51.59 109.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.607 1.706 . . . . 60.42 115.607 162.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.68 ' HE2' ' HA ' ' A' ' 85' ' ' LYS . 9.2 mmpt? -119.24 152.68 36.24 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.895 -0.593 . . . . 63.21 110.263 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.428 ' N ' HD21 ' A' ' 86' ' ' LEU . 2.4 pt? -157.47 -172.39 3.96 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.02 0.378 . . . . 75.34 112.02 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.82 97.21 0.21 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.035 0.445 . . . . 72.33 110.553 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.4 p -91.54 135.76 33.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.107 -0.497 . . . . 62.51 112.022 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.87 114.87 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.341 -0.391 . . . . 73.42 110.793 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.0 m -125.37 177.05 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.985 0.421 . . . . 74.34 111.82 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.827 -0.606 . . . . 63.24 111.028 178.747 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 112.341 0.497 . . . . 71.34 112.341 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.26 95.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 115.262 0.865 . . . . 55.31 115.262 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -116.26 93.73 4.35 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.31 -0.523 . . . . 74.21 110.534 171.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -74.65 112.91 11.32 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.19 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -77.49 135.91 38.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.973 0.416 . . . . 74.52 111.453 -175.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 81.5 t60 -96.24 175.83 6.3 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.412 -0.358 . . . . 73.31 111.375 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 38.4 m80 80.39 -55.0 0.35 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.486 0.921 . . . . 74.12 113.486 172.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -55.15 104.64 0.13 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.243 0.544 . . . . 74.42 111.693 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 t -173.33 152.26 2.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.81 -0.632 . . . . 74.44 111.353 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -125.73 163.57 22.55 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.956 0.407 . . . . 71.54 110.774 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.3 ptp -104.89 38.15 1.99 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.045 0.45 . . . . 73.41 111.202 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -48.35 120.84 3.9 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.626 -0.715 . . . . 71.22 112.631 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -134.29 83.86 43.09 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.939 -0.573 . . . . 75.34 111.156 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -96.78 122.96 0.22 Allowed 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.4 2.733 . . . . 75.51 113.317 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.2 m -107.91 113.63 26.98 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.78 0.324 . . . . 74.32 111.02 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.4 137.75 34.25 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.443 -0.344 . . . . 71.43 111.335 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -125.21 150.43 47.01 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.036 0.446 . . . . 73.53 112.103 -177.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.36 77.14 0.04 OUTLIER Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.047 -0.597 . . . . 41.11 113.091 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.56 110.69 4.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.156 0.503 . . . . 71.44 111.498 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.8 130.42 36.77 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.33 -0.396 . . . . 73.43 111.85 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.61 -132.04 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 121.215 -0.517 . . . . 64.43 113.095 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 m -71.74 179.76 2.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.02 0.438 . . . . 75.44 111.928 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -53.21 -42.4 66.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.929 0.344 . . . . 71.32 111.929 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.25 -50.34 68.37 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.971 0.36 . . . . 73.05 111.971 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.07 -30.54 59.86 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.588 0.233 . . . . 60.44 111.57 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -58.86 -32.03 69.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.836 0.309 . . . . 75.1 111.836 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.2 mpt_? -74.33 -40.74 62.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.978 0.418 . . . . 71.31 110.398 174.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.12 82.32 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.97 -0.559 . . . . 54.12 111.628 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.13 -23.45 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.133 0.42 . . . . 74.13 112.133 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.7 88.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.424 . . . . 72.21 110.841 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.4 mmm -92.66 -2.98 55.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.252 -0.431 . . . . 75.55 111.403 175.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 61.73 82.04 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.605 0.717 . . . . 73.33 112.414 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.05 128.77 27.81 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 115.296 -0.866 . . . . 74.4 110.789 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -83.49 20.67 1.14 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.918 2.412 . . . . 75.5 114.714 -175.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -151.52 152.3 30.37 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 122.128 -0.357 . . . . 74.4 111.564 178.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.16 155.13 42.16 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.944 2.43 . . . . 63.55 113.944 -174.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.423 ' HA ' HD11 ' A' ' 40' ' ' ILE . 68.2 p -64.95 -34.56 78.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.687 -0.688 . . . . 73.04 111.87 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -55.27 -45.56 76.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.96 0.41 . . . . 74.35 111.376 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.84 -39.99 87.01 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.169 -0.469 . . . . 75.1 110.995 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.423 HD11 ' HA ' ' A' ' 37' ' ' THR . 66.6 mt -59.37 -31.42 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.121 0.486 . . . . 74.41 111.62 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.45 -52.65 11.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 112.64 0.607 . . . . 75.51 112.64 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.3 -22.47 61.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.366 0.876 . . . . 74.41 113.366 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.46 139.5 86.77 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 122.029 -0.42 . . . . 63.41 111.272 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.72 160.58 47.56 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.0 1.8 . . . . 71.43 112.08 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.3 p -47.68 -37.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.515 0.561 . . . . 74.34 112.515 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.9 -62.25 2.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.806 0.336 . . . . 75.44 111.447 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 -25.9 64.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.344 -0.389 . . . . 62.15 111.737 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -67.75 -50.36 57.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.916 0.388 . . . . 74.42 110.876 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.05 -38.93 87.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.276 0.56 . . . . 73.43 110.753 176.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.41 -33.92 75.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.071 -0.513 . . . . 72.31 111.078 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.59 -45.56 77.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.496 0.665 . . . . 75.42 110.807 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.89 -27.16 68.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.364 -0.835 . . . . 74.4 111.875 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.52 21.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.319 0.489 . . . . 74.41 112.319 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -80.53 -42.27 22.74 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.115 0.413 . . . . 75.41 112.115 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -95.23 128.45 38.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 122.348 -0.22 . . . . 75.42 111.354 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.4 105.79 0.37 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.634 2.223 . . . . 75.21 112.845 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 88.7 mt -133.36 150.37 51.83 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.057 0.456 . . . . 74.43 111.542 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -82.54 157.4 23.54 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 73.42 110.382 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.63 -39.99 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.214 0.45 . . . . 73.32 112.214 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -61.6 -36.53 80.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.804 0.335 . . . . 75.42 111.501 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.487 ' O ' HG21 ' A' ' 65' ' ' VAL . 54.9 mt-30 -70.93 -43.04 69.05 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.502 -0.317 . . . . 74.23 111.352 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.85 -47.49 82.54 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.118 0.485 . . . . 73.21 110.651 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.86 78.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.025 -0.534 . . . . 74.01 111.629 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 27' ' ' ARG . 59.3 tp -62.89 -50.52 70.58 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.431 176.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 61' ' ' GLN . 92.9 t -52.85 -40.25 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.149 0.5 . . . . 72.21 111.409 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -61.85 -45.94 91.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.04 -0.527 . . . . 74.31 111.285 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.65 -40.95 84.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.031 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.79 -38.2 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.83 -0.623 . . . . 74.02 111.508 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -68.52 -40.13 80.9 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.107 -0.371 . . . . 75.45 111.307 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 1.2 tpm_? -58.65 -36.86 74.81 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.179 0.514 . . . . 74.03 110.554 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -68.75 -62.1 1.53 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.991 -0.55 . . . . 75.14 111.826 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.05 96.22 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 116.102 -0.499 . . . . 75.02 114.215 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HA ' HG12 ' A' ' 76' ' ' VAL . 13.7 tptp -67.22 -34.55 77.71 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.318 -0.519 . . . . 74.44 111.137 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.1 -37.74 84.45 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.196 0.522 . . . . 73.35 110.355 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -57.32 -49.98 74.39 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.784 -0.644 . . . . 75.11 110.554 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 73' ' ' LYS . 14.8 p -75.28 -27.68 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 120.768 0.318 . . . . 73.04 111.609 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.44 90.61 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.843 0.354 . . . . 75.32 110.912 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.8 68.25 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.117 0.484 . . . . 72.52 111.191 174.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -80.7 -27.72 36.89 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.973 -0.558 . . . . 75.23 111.34 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -122.68 40.92 3.57 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.139 0.422 . . . . 74.32 112.139 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -87.52 -33.47 18.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.844 0.354 . . . . 74.52 111.591 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -75.21 84.05 2.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.014 0.435 . . . . 62.41 111.063 -176.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -151.33 157.15 42.12 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.018 0.377 . . . . 72.14 112.018 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.89 21.88 6.56 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.711 0.634 . . . . 73.41 112.711 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 85' ' ' LYS . 7.1 mmpt? -107.84 106.9 17.4 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.942 0.401 . . . . 73.13 110.759 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.17 -162.38 0.6 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.268 -0.423 . . . . 73.42 111.519 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.1 141.52 49.9 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.907 0.384 . . . . 70.13 111.462 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.1 m -71.3 104.85 3.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.129 0.49 . . . . 73.1 111.62 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -71.79 -174.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.745 -0.661 . . . . 74.41 111.706 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.87 99.55 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.099 -0.376 . . . . 74.35 110.606 176.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 113.155 0.798 . . . . 60.01 113.155 -175.901 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 111.97 0.359 . . . . 72.3 111.97 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.01 -45.32 87.07 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.038 0.447 . . . . 73.02 110.968 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -66.91 -34.41 77.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.417 -0.356 . . . . 64.14 111.352 177.406 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.21 -50.02 75.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.396 0.617 . . . . 52.23 110.661 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -53.41 58.68 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 74.43 112.431 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.8 -24.17 64.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.549 0.574 . . . . 71.34 112.549 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -49.9 14.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.208 0.527 . . . . 42.14 111.252 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.549 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.9 mmm -83.05 0.89 42.81 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.307 -0.406 . . . . 74.43 111.317 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 62.68 62.92 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.626 0.727 . . . . 73.03 112.314 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 35' ' ' PHE . 46.4 mm -95.3 125.03 51.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.619 -0.718 . . . . 73.35 110.613 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 1.1 Cg_endo -83.09 16.57 1.83 Allowed 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 122.872 2.382 . . . . 64.21 114.604 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' H ' HG22 ' A' ' 33' ' ' ILE . 31.4 p90 -146.7 148.22 32.68 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 122.174 -0.328 . . . . 63.41 111.544 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.31 145.61 88.72 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.107 2.538 . . . . 74.55 114.364 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.702 -0.681 . . . . 43.53 112.496 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.68 -44.52 85.84 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.994 0.426 . . . . 75.2 111.461 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.5 -41.35 72.96 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.054 0.454 . . . . 73.22 111.015 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 56.3 mt -57.22 -35.45 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.381 0.61 . . . . 73.1 111.734 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.27 -45.25 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.196 0.522 . . . . 64.34 112.26 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -79.3 -25.71 42.36 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.313 0.857 . . . . 65.12 113.313 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 51' ' ' LEU . 51.2 mt -71.82 145.79 89.84 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 111.985 0.365 . . . . 74.24 111.985 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.06 167.28 27.58 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.769 2.313 . . . . 73.13 112.286 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.39 -40.16 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 112.172 0.434 . . . . 71.42 112.172 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.59 -62.0 1.98 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.1 0.476 . . . . 70.41 111.549 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.08 -36.68 84.4 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.948 -0.569 . . . . 61.1 110.767 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.12 -49.94 74.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.846 0.458 . . . . 73.35 111.922 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.06 -48.85 75.28 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.053 0.454 . . . . 75.04 111.422 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.4 mt-10 -63.56 -39.01 93.3 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.328 -0.396 . . . . 62.15 111.358 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 43' ' ' LEU . 61.8 tp -54.69 -42.96 72.05 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 63.42 110.726 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 HD21 HG11 ' A' ' 65' ' ' VAL . 63.3 mt -64.08 -54.62 31.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.445 0.64 . . . . 74.23 111.191 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.92 67.8 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.173 0.805 . . . . 54.12 113.173 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 81.5 mtp180 -76.91 -30.87 56.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.241 0.46 . . . . 74.13 112.241 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -101.23 137.88 19.8 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.067 0.395 . . . . 73.03 112.067 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.62 83.85 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.467 2.111 . . . . 61.53 112.808 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD11 ' CE1' ' A' ' 35' ' ' PHE . 91.6 mt -111.32 143.09 42.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.013 -0.54 . . . . 71.03 111.795 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 41.5 p -80.79 172.96 13.1 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.176 -0.466 . . . . 70.24 110.78 173.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.2 -31.17 72.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.902 0.382 . . . . 71.14 110.918 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -73.33 -42.47 62.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.061 -0.518 . . . . 63.21 111.294 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 65' ' ' VAL . 53.7 mt-30 -61.24 -48.97 79.01 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.763 0.315 . . . . 71.05 110.915 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.55 -40.7 72.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.404 -0.362 . . . . 64.12 111.489 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.67 81.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.867 0.365 . . . . 72.44 111.129 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 31' ' ' MET . 49.9 tp -62.55 -48.13 80.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.346 -0.388 . . . . 61.25 111.452 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 61' ' ' GLN . 42.1 t -55.56 -42.71 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.078 0.466 . . . . 71.2 111.131 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -61.15 -34.96 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.118 -0.492 . . . . 73.14 111.839 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 28.3 t70 -76.27 -50.82 13.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.56 -0.291 . . . . 63.32 111.209 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -54.38 -43.51 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 120.694 0.283 . . . . 42.03 111.258 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.42 -45.2 35.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.287 0.565 . . . . 70.13 109.866 174.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -74.26 -39.35 63.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.758 -0.655 . . . . 73.43 111.779 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 22.4 mmt180 -58.84 -50.2 74.87 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.945 0.402 . . . . 73.04 111.545 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.55 85.75 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.709 -0.758 . . . . 42.1 112.331 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 120.712 0.291 . . . . 73.5 111.381 179.382 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.649 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 14.7 m-20 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 112.219 0.452 . . . . 62.41 112.219 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.46 -26.08 64.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 120.821 0.343 . . . . 72.42 111.115 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -61.4 -42.15 98.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.789 0.328 . . . . 63.25 111.29 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.649 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 4.9 mpt_? -56.4 -42.51 78.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.308 -0.405 . . . . 73.12 111.474 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -58.04 8.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.306 -0.406 . . . . 73.35 111.976 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -65.33 -33.13 75.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.285 0.476 . . . . 73.53 112.285 -177.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.461 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -65.5 -46.79 78.31 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.902 0.382 . . . . 75.41 111.595 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.578 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.6 mmm -89.11 4.29 48.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.415 -0.357 . . . . 74.32 111.737 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.7 mmpt? 61.9 31.1 18.27 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.595 0.591 . . . . 72.34 112.595 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.414 HD13 HE21 ' A' ' 61' ' ' GLN . 50.3 mm -57.5 117.23 17.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 122.342 0.257 . . . . 75.53 111.229 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.66 13.03 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 122.976 2.451 . . . . 73.4 114.839 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE1' HD11 ' A' ' 57' ' ' LEU . 31.0 p90 -145.45 149.3 40.33 Favored Pre-proline 0 N--CA 1.473 0.715 0 O-C-N 122.157 -0.339 . . . . 73.21 111.507 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.0 155.43 42.92 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.838 2.358 . . . . 64.43 114.315 -172.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -66.78 -41.33 87.83 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.529 -0.759 . . . . 73.14 112.235 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -48.28 59.63 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.341 -0.391 . . . . 70.21 111.847 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.9 ttmm -54.31 -52.41 61.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.362 -0.381 . . . . 70.14 111.131 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.6 mt -51.57 -40.33 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.879 -0.601 . . . . 62.05 112.305 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.97 -45.17 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 112.389 0.515 . . . . 65.23 112.389 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.25 -19.33 56.71 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.913 0.709 . . . . 72.13 112.913 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.495 HD12 HD22 ' A' ' 51' ' ' LEU . 40.3 mt -72.16 131.13 85.5 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 120.943 0.401 . . . . 75.35 111.539 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 164.86 29.99 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.208 1.939 . . . . 50.23 111.648 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.6 -37.29 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.288 0.477 . . . . 74.44 112.288 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.32 -63.98 1.08 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.862 0.363 . . . . 63.14 111.609 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.61 -28.38 68.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.797 0.295 . . . . 40.25 111.797 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.96 -57.86 10.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.991 0.424 . . . . 62.31 111.514 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.63 -33.94 76.74 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.487 -0.324 . . . . 73.31 111.717 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -35.58 76.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.754 0.312 . . . . 71.44 111.502 174.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 43' ' ' LEU . 52.4 tp -58.67 -42.55 88.74 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 74.52 110.95 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.3 -20.24 65.95 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.918 -0.583 . . . . 74.35 111.877 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.13 -1.88 58.28 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.788 0.328 . . . . 63.02 111.874 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.65 -56.57 2.64 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.07 0.462 . . . . 74.33 111.756 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -94.44 146.28 31.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 116.07 -0.514 . . . . 64.03 111.825 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.61 109.29 2.6 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.567 2.178 . . . . 70.21 112.874 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' A' ' 35' ' ' PHE . 87.6 mt -129.9 145.0 51.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.903 0.383 . . . . 52.42 111.26 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -88.22 160.24 17.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.434 -0.348 . . . . 74.11 110.78 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.54 -34.04 10.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.237 0.458 . . . . 74.53 112.237 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -68.41 -41.29 80.63 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 60.21 111.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 65' ' ' VAL . 55.9 mt-30 -66.51 -42.9 86.61 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 111.804 0.298 . . . . 74.01 111.804 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.02 -38.76 76.8 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.341 . . . . 52.2 111.209 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.4 86.13 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.013 0.435 . . . . 32.44 110.951 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.578 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.4 tp -59.99 -43.64 95.04 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.048 -0.524 . . . . 71.0 111.924 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.8 t -55.15 -41.43 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 120.914 0.388 . . . . 63.13 111.181 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 66' ' ' ARG . 27.7 mtm-85 -69.69 -38.49 77.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.86 0.362 . . . . 70.24 111.153 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.0 -50.56 72.35 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.226 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.09 -46.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.296 0.57 . . . . 54.14 110.959 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.49 -36.72 62.01 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.756 -0.656 . . . . 75.15 111.475 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -71.31 -49.36 43.43 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.75 0.278 . . . . 74.55 111.75 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -58.92 -54.76 43.46 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.881 0.372 . . . . 73.34 111.784 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.94 -35.01 62.42 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.027 -0.606 . . . . 75.34 113.093 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 120.724 0.297 . . . . 74.02 111.772 -179.038 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.492 ' HB2' HG21 ' A' ' 37' ' ' THR . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 120.643 0.259 . . . . 60.32 110.717 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -55.03 -39.15 68.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.849 0.357 . . . . 64.11 111.253 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -60.13 -40.14 88.75 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.78 0.324 . . . . 73.43 110.345 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -58.15 -46.73 85.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.224 0.535 . . . . 73.12 110.917 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.764 -0.653 . . . . 44.1 111.991 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.56 -27.34 65.05 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.193 0.442 . . . . 71.34 112.193 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.63 71.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.875 0.369 . . . . 51.32 111.789 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.566 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.8 mmm -99.59 6.27 45.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.454 -0.339 . . . . 70.24 111.508 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 56.64 74.53 0.4 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 73.11 112.435 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -103.81 118.15 58.02 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.773 -0.649 . . . . 64.21 110.634 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.45 24.96 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 122.784 2.323 . . . . 62.14 114.307 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.3 143.54 12.99 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.653 0.263 . . . . 74.34 111.364 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.68 155.98 61.84 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.902 2.401 . . . . 73.21 113.915 -175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 24' ' ' ASP . 70.4 p -63.64 -41.44 98.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.718 -0.674 . . . . 73.25 112.366 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.02 -41.63 47.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.807 0.337 . . . . 63.14 111.537 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.81 -46.36 88.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.04 0.448 . . . . 64.51 110.696 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -53.41 -38.52 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.984 -0.553 . . . . 72.24 112.169 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 69' ' ' ARG . 41.4 t -87.66 -43.21 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 112.586 0.587 . . . . 63.03 112.586 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -86.89 21.0 2.39 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.418 0.896 . . . . 74.21 113.418 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 51' ' ' LEU . 58.5 mt -103.96 140.19 20.82 Favored Pre-proline 0 N--CA 1.471 0.62 0 O-C-N 122.244 -0.285 . . . . 75.41 111.078 170.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.87 154.39 70.09 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 121.87 1.713 . . . . 74.04 111.699 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -48.22 -39.67 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 113.222 0.823 . . . . 73.54 113.222 -174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -55.06 27.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.95 0.405 . . . . 65.41 111.604 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.9 -20.03 66.08 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.051 0.389 . . . . 72.14 112.051 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.99 -46.95 69.88 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.874 0.369 . . . . 73.44 110.403 173.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.71 -41.92 91.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.137 0.494 . . . . 42.54 110.437 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 20.4 mm-40 -55.51 -50.6 69.54 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.866 -0.606 . . . . 62.52 111.307 172.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD22 HD12 ' A' ' 43' ' ' LEU . 57.6 tp -48.83 -48.49 41.62 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.012 -0.54 . . . . 65.52 111.698 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.93 -42.17 97.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.0 0.428 . . . . 72.4 111.93 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.68 58.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.323 0.49 . . . . 74.34 112.323 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.5 mtt180 -76.62 -27.94 55.91 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.651 0.612 . . . . 62.54 112.651 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -109.44 139.33 21.02 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 122.291 -0.256 . . . . 65.5 111.496 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.25 104.99 0.95 Allowed 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.725 2.283 . . . . 61.3 112.848 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.24 141.82 50.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.91 0.386 . . . . 75.32 111.645 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 44.0 p -83.83 163.64 19.99 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.701 -0.227 . . . . 74.42 110.498 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.12 -47.72 12.16 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.064 0.459 . . . . 75.34 111.956 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 m -64.76 -33.44 75.99 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.177 -0.465 . . . . 73.51 112.05 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 65' ' ' VAL . 49.6 mt-30 -68.63 -42.02 78.64 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 122.402 -0.186 . . . . 75.43 111.267 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.21 -42.9 99.41 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.86 0.362 . . . . 61.51 110.87 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.71 85.19 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.015 0.436 . . . . 61.31 111.046 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' HG3' ' A' ' 31' ' ' MET . 55.8 tp -59.32 -50.59 73.42 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.329 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 61' ' ' GLN . 88.3 t -54.06 -42.37 54.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.898 0.38 . . . . 61.41 111.426 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -61.11 -42.59 98.81 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.375 -0.375 . . . . 62.22 111.538 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.82 -34.91 74.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.891 0.377 . . . . 70.44 111.04 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LEU . 68.5 mt -62.7 -43.7 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.674 0.273 . . . . 61.14 111.025 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HA ' HG22 ' A' ' 41' ' ' VAL . 13.3 ttm180 -63.51 -43.03 98.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.981 0.42 . . . . 72.01 110.855 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -56.93 -42.13 79.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.065 -0.516 . . . . 75.04 111.273 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 71' ' ' ARG . 10.6 mmt180 -73.26 -48.11 37.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.17 0.509 . . . . 75.32 111.551 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.43 -35.28 90.79 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 116.152 -0.477 . . . . 70.4 113.231 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 CA-C-O 120.693 0.282 . . . . 74.23 110.771 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.274 0.559 . . . . 71.44 110.538 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.11 -35.9 80.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.924 -0.58 . . . . 73.11 111.539 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 33.3 mmt180 -61.8 -39.69 92.59 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.683 0.278 . . . . 72.35 111.403 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.79 -44.13 86.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.17 0.509 . . . . 75.21 110.557 171.033 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -55.6 -57.85 10.24 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.768 -0.651 . . . . 73.13 112.29 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -63.4 -29.46 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.009 0.374 . . . . 63.32 112.009 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -68.7 -40.78 79.85 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.122 0.487 . . . . 75.53 111.316 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.576 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 96.2 mmm -86.78 -10.62 53.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.182 -0.463 . . . . 62.01 111.238 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 mttp 76.32 63.66 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.672 0.789 . . . . 54.13 112.078 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.504 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.2 mm -95.5 117.88 66.4 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 115.601 -0.727 . . . . 73.43 110.739 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.2 8.67 4.23 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.747 2.298 . . . . 65.15 114.82 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.466 ' H ' HG22 ' A' ' 33' ' ' ILE . 22.7 p90 -134.53 150.35 73.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 122.035 -0.416 . . . . 74.33 111.888 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.82 154.81 63.34 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.05 2.5 . . . . 75.03 114.419 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.56 ' HA ' HD12 ' A' ' 40' ' ' ILE . 66.3 p -67.7 -39.95 84.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.655 -0.702 . . . . 72.02 112.319 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.13 -50.84 63.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.923 0.392 . . . . 72.35 111.689 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -58.07 -44.57 87.58 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.396 -0.365 . . . . 70.42 111.139 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 37' ' ' THR . 82.9 mt -49.65 -48.9 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.186 0.517 . . . . 72.34 111.769 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 57.9 t -69.46 -39.76 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-N 116.088 -0.505 . . . . 42.12 111.91 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -76.48 -27.46 56.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.099 0.777 . . . . 74.32 113.099 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.525 HD12 HD22 ' A' ' 51' ' ' LEU . 66.9 mt -68.78 130.67 91.59 Favored Pre-proline 0 N--CA 1.473 0.68 0 N-CA-C 112.011 0.374 . . . . 51.43 112.011 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.45 -178.56 1.9 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.669 2.246 . . . . 65.32 112.953 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 46' ' ' ASP . 6.7 p -54.14 -57.13 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 113.882 1.067 . . . . 55.33 113.882 -171.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 45' ' ' VAL . 6.6 m-20 -65.14 -49.11 71.17 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.88 -0.512 . . . . 72.43 111.792 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.73 -35.04 75.35 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.912 0.386 . . . . 75.22 111.406 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 65' ' ' VAL . 88.9 t80 -61.46 -50.14 74.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.168 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.93 -40.32 88.5 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.953 0.406 . . . . 74.44 110.957 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 29.9 mm-40 -57.71 -49.0 77.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.288 -0.414 . . . . 75.32 111.193 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 43' ' ' LEU . 47.2 tp -51.38 -45.96 62.62 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.026 0.441 . . . . 74.03 111.173 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.91 -36.51 84.62 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.961 0.41 . . . . 72.11 111.845 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.38 -19.53 46.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.525 0.565 . . . . 41.23 112.525 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 68.6 mtt180 -94.34 3.42 55.23 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.692 0.627 . . . . 75.11 112.692 -175.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -132.33 148.72 70.84 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.894 0.378 . . . . 64.3 111.802 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.97 85.65 1.34 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.332 2.021 . . . . 62.44 112.3 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 35' ' ' PHE . 76.8 mt -117.07 131.31 56.95 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.061 -0.518 . . . . 74.14 111.543 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.9 p -68.62 155.74 39.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.956 0.407 . . . . 74.12 111.209 174.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -47.32 -44.32 23.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.832 0.679 . . . . 72.41 112.832 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -65.19 -34.42 78.32 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.015 0.436 . . . . 65.24 111.712 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.576 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 52.6 mt-30 -62.05 -44.99 95.51 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.469 -0.332 . . . . 75.14 111.395 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 mp -59.75 -44.48 93.79 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.852 0.358 . . . . 71.32 110.582 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.18 74.13 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.992 0.425 . . . . 74.43 111.736 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 27' ' ' ARG . 67.8 tp -66.07 -53.27 40.35 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.116 -0.493 . . . . 71.3 110.976 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG13 HD13 ' A' ' 40' ' ' ILE . 71.2 t -53.29 -37.95 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 116.209 -0.45 . . . . 62.14 111.985 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 26.7 mtp180 -63.81 -39.82 95.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.886 0.374 . . . . 75.13 111.368 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 30.9 t70 -67.68 -43.92 79.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.512 -0.313 . . . . 74.31 110.653 176.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.74 -42.66 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.032 0.444 . . . . 63.23 111.503 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 55.7 ttp180 -62.13 -50.2 72.82 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.444 -0.344 . . . . 72.0 111.537 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 29.8 ptt180 -69.67 -28.33 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 111.65 0.241 . . . . 71.2 111.65 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -68.93 -50.66 47.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.824 0.345 . . . . 71.02 111.103 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.89 95.71 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.965 -0.636 . . . . 43.01 112.698 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 111.768 0.284 . . . . 71.31 111.768 178.427 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HA ' ' NH1' ' A' ' 27' ' ' ARG . 4.8 m-20 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.165 0.507 . . . . 63.54 111.451 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -70.22 -34.96 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.801 -0.636 . . . . 72.42 111.631 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.59 -25.02 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.055 0.391 . . . . 75.4 112.055 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 64' ' ' LEU . 67.2 mtt85 -58.74 -43.84 90.32 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.156 0.503 . . . . 74.44 110.934 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -61.94 -57.23 12.53 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.898 -0.592 . . . . 72.55 112.013 -177.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.2 pp -63.85 -28.47 69.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 111.96 0.356 . . . . 75.33 111.96 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -67.49 -48.67 66.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.764 0.316 . . . . 62.21 111.589 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.1 mmm -91.84 7.51 41.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.478 -0.328 . . . . 73.44 111.517 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.9 71.9 0.56 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.606 0.717 . . . . 70.41 112.477 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.0 mm -102.1 111.48 64.36 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.595 -0.729 . . . . 65.31 110.204 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.94 25.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 122.784 2.322 . . . . 60.21 115.092 -172.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 57' ' ' LEU . 33.8 p90 -146.41 147.92 32.52 Favored Pre-proline 0 N--CA 1.474 0.757 0 O-C-N 121.862 -0.524 . . . . 73.45 111.927 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.56 139.99 79.0 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 123.348 2.699 . . . . 75.54 114.62 -173.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 70.2 p -65.64 -40.53 92.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.711 -0.677 . . . . 65.33 112.618 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.71 -43.25 72.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.123 0.487 . . . . 71.15 111.718 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.7 -36.09 83.17 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.204 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.579 HD13 HG13 ' A' ' 65' ' ' VAL . 69.8 mt -55.78 -40.93 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.236 0.541 . . . . 73.54 111.414 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.432 HG21 ' HA3' ' A' ' 72' ' ' GLY . 62.9 t -74.63 -36.57 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.914 -0.585 . . . . 73.54 111.865 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -73.6 -40.36 63.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.391 0.515 . . . . 55.33 112.391 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.87 136.17 94.4 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.237 0.458 . . . . 70.05 112.237 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 176.1 8.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.705 2.27 . . . . 71.13 112.645 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.53 -43.31 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 113.04 0.755 . . . . 62.22 113.04 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.92 -55.39 26.39 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.867 0.365 . . . . 73.04 111.528 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 -37.13 76.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.945 0.402 . . . . 73.45 111.427 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -61.29 -50.02 74.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.096 -0.502 . . . . 75.14 111.214 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.781 0.324 . . . . 75.13 111.287 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.8 mm-40 -55.19 -51.02 67.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.919 0.39 . . . . 74.52 110.674 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -50.59 -49.44 56.35 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.885 -0.598 . . . . 70.22 111.48 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.98 -31.7 72.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.387 0.514 . . . . 74.24 112.387 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.53 -21.91 35.22 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.227 0.455 . . . . 64.43 112.227 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 85.6 mtt180 -90.39 -16.83 28.35 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.513 0.56 . . . . 62.13 112.513 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -106.03 145.25 30.57 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-O 121.066 0.46 . . . . 75.32 112.119 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.85 43.65 1.41 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.048 2.499 . . . . 74.45 113.894 -174.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 72.7 mt -82.14 145.77 29.94 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.946 0.403 . . . . 74.22 111.686 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 p -85.39 164.26 18.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.604 -0.271 . . . . 64.33 110.959 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -47.69 -36.29 10.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.863 0.69 . . . . 73.45 112.863 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -67.72 -40.62 84.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.944 0.402 . . . . 62.34 111.345 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.567 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 49.6 mt-30 -66.48 -43.58 85.06 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.339 -0.391 . . . . 72.22 111.776 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.14 -40.21 88.99 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.957 0.408 . . . . 73.51 111.361 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.91 86.61 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.905 0.383 . . . . 70.44 111.235 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 27' ' ' ARG . 37.6 tp -61.47 -53.01 62.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.23 -0.441 . . . . 51.4 111.267 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 40' ' ' ILE . 64.5 t -53.54 -39.98 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.037 -0.529 . . . . 60.01 111.716 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 66' ' ' ARG . 42.8 mtm180 -62.02 -35.68 79.28 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.33 0.492 . . . . 74.3 112.33 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 29.6 t70 -73.76 -40.34 63.56 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.166 -0.334 . . . . 61.51 110.846 176.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.95 -40.77 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.911 0.386 . . . . 52.54 110.953 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -53.88 -50.49 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.269 0.557 . . . . 70.51 110.516 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.21 -45.68 87.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.676 -0.693 . . . . 74.35 111.763 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 16.9 mmm180 -51.29 -57.22 9.44 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.527 0.565 . . . . 75.15 112.527 -176.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' HA3' HG21 ' A' ' 41' ' ' VAL . . . -74.23 -36.66 50.17 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.879 -0.677 . . . . 72.3 113.564 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm . . . . . 0 N--CA 1.47 0.545 0 O-C-N 122.468 -0.431 . . . . 72.51 111.943 -175.435 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.047 0.451 . . . . 72.22 111.593 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -57.83 -36.72 72.67 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.141 0.423 . . . . 75.34 112.141 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -59.89 -29.1 68.11 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.048 0.452 . . . . 75.01 111.087 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -78.79 -42.21 28.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.285 0.564 . . . . 65.44 110.518 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -56.3 -55.14 37.0 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.707 -0.679 . . . . 63.14 111.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.83 -23.48 67.25 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.955 0.354 . . . . 71.54 111.955 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.54 -49.31 42.0 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.9 0.381 . . . . 73.15 111.444 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.0 mmm -85.73 6.81 26.12 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.422 -0.353 . . . . 75.31 111.806 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt 63.84 72.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 73.24 112.024 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.2 mm -108.39 116.17 56.87 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 116.456 -0.338 . . . . 63.34 110.628 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -24.36 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.799 2.333 . . . . 64.24 114.097 -176.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -102.86 141.02 21.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.859 0.362 . . . . 74.2 111.904 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.69 143.9 82.35 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.884 2.389 . . . . 63.31 114.033 -175.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 40' ' ' ILE . 73.2 p -58.22 -40.07 80.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.025 -0.534 . . . . 64.51 111.751 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.59 -47.61 66.8 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.398 -0.365 . . . . 72.23 111.392 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.9 ttmt -60.33 -43.63 96.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.688 0.28 . . . . 73.53 110.913 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 37' ' ' THR . 63.5 mt -52.1 -37.34 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.266 0.555 . . . . 73.15 111.452 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.8 t -80.84 -45.33 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.987 -0.551 . . . . 54.31 112.212 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.45 -6.26 42.39 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.562 0.578 . . . . 63.15 112.562 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 75.3 mt -83.92 143.49 43.23 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.092 -0.38 . . . . 74.32 111.026 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.73 167.7 25.81 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.287 1.991 . . . . 62.51 112.176 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.98 -41.57 59.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 112.668 0.618 . . . . 74.22 112.668 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.82 -60.93 2.38 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.85 0.357 . . . . 64.42 111.216 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.63 -27.72 41.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.286 0.476 . . . . 74.21 112.286 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.28 -53.37 58.49 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.006 0.431 . . . . 71.52 111.127 173.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -63.66 -31.19 72.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.046 0.45 . . . . 73.42 111.025 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 25.3 mm-40 -62.75 -49.75 73.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.854 0.359 . . . . 73.42 111.145 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.2 tp -54.39 -47.8 72.3 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 HG11 ' A' ' 65' ' ' VAL . 92.0 mt -63.32 -33.9 76.52 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 72.53 112.158 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.11 -33.97 56.8 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.971 0.415 . . . . 43.54 111.708 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 95.9 mtt180 -78.93 -31.47 45.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.878 0.371 . . . . 75.22 111.198 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -106.09 101.07 32.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.581 -0.281 . . . . 61.15 110.75 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -66.39 81.57 0.3 Allowed 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.755 2.303 . . . . 74.11 113.424 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 87.1 mt -91.55 162.55 14.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.148 -0.478 . . . . 63.43 111.03 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.482 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 30.5 p -71.84 147.68 46.93 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.209 -0.307 . . . . 72.31 110.541 176.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.77 -22.79 3.88 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.853 0.359 . . . . 54.42 111.689 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.8 m -75.45 -42.62 52.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.298 -0.41 . . . . 74.13 111.216 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HG3' ' OG1' ' A' ' 58' ' ' THR . 56.9 mt-30 -61.81 -46.39 89.73 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 122.292 -0.255 . . . . 72.11 111.232 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.486 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.2 mp -58.0 -32.66 68.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.67 0.271 . . . . 73.24 111.386 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.99 90.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.131 0.491 . . . . 55.12 111.292 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.41 -49.18 61.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 72.03 111.128 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG11 HD21 ' A' ' 52' ' ' LEU . 59.8 t -54.93 -43.38 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 71.54 111.291 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -65.8 -30.03 70.6 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.502 -0.317 . . . . 74.35 111.454 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.96 -51.96 16.35 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.695 0.283 . . . . 73.42 111.026 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.499 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 71.5 mt -55.71 -45.53 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.03 0.443 . . . . 63.54 111.039 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -49.84 -48.06 51.22 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.881 -0.599 . . . . 71.43 111.232 174.402 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.96 -40.24 83.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.822 0.344 . . . . 75.32 110.504 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' HD3' ' HA ' ' A' ' 68' ' ' ILE . 32.4 mtp85 -57.88 -58.0 10.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.274 0.559 . . . . 74.32 111.734 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.39 -36.57 91.77 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.948 -0.569 . . . . 75.13 113.077 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? . . . . . 0 CA--C 1.541 0.631 0 O-C-N 122.369 -0.489 . . . . 72.4 110.891 179.031 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.383 0.512 . . . . 63.03 112.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.63 -36.15 69.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.716 0.293 . . . . 75.04 110.992 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -63.84 -47.17 81.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.943 0.402 . . . . 74.31 110.255 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 64' ' ' LEU . 8.1 mtp85 -57.07 -39.91 75.87 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.999 -0.546 . . . . 74.41 111.278 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -51.84 62.19 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.182 -0.463 . . . . 72.31 112.125 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.45 -20.73 59.92 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 111.977 0.362 . . . . 75.41 111.977 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.06 71.01 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.845 0.355 . . . . 75.34 111.795 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.461 ' HG3' HD22 ' A' ' 64' ' ' LEU . 93.9 mmm -99.57 -0.66 40.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 71.32 111.729 177.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm 61.71 78.01 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.168 0.587 . . . . 71.42 112.272 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -92.3 118.02 67.92 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.019 -0.537 . . . . 62.52 110.419 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.56 28.51 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.946 2.43 . . . . 72.35 114.465 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 44.4 p90 -157.89 155.39 26.47 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 122.193 -0.317 . . . . 52.42 111.591 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 31.0 Cg_endo -61.9 136.66 62.87 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.018 2.479 . . . . 65.14 114.193 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 74.8 p -65.93 -38.39 88.53 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.884 -0.598 . . . . 74.45 112.499 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -54.8 -43.92 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.977 0.418 . . . . 63.43 111.138 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -55.65 -38.87 70.15 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.25 -0.432 . . . . 64.03 111.498 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 69' ' ' ARG . 74.6 mt -52.66 -43.32 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.269 0.557 . . . . 75.52 111.897 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 69' ' ' ARG . 26.7 t -89.42 -26.78 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.067 -0.515 . . . . 70.34 112.365 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -91.77 -13.92 30.73 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.775 1.028 . . . . 63.21 113.775 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.27 144.58 47.01 Favored Pre-proline 0 N--CA 1.473 0.712 0 O-C-N 121.774 -0.579 . . . . 54.3 111.596 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.31 167.49 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.481 2.121 . . . . 65.42 112.124 174.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.0 p -56.3 -41.34 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.822 0.675 . . . . 70.45 112.822 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.33 -57.73 6.86 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 111.943 0.349 . . . . 74.35 111.943 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.28 -34.38 57.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.001 0.429 . . . . 62.35 111.136 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.43 ' HE1' HG23 ' A' ' 40' ' ' ILE . 83.3 t80 -63.48 -46.34 86.64 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.131 -0.486 . . . . 74.24 111.124 175.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.18 -46.71 82.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.072 0.463 . . . . 73.45 111.157 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.0 -34.33 76.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.026 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -55.43 -50.01 70.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.843 0.354 . . . . 75.23 110.89 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.36 -36.78 74.0 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.335 0.588 . . . . 75.51 111.498 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.43 53.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.946 -0.57 . . . . 75.44 112.354 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.17 -3.46 58.82 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.98 0.733 . . . . 73.2 112.98 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 70.1 m-85 -125.6 149.11 64.05 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.306 0.484 . . . . 75.43 112.306 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 4.1 Cg_exo -75.87 42.49 0.96 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.507 2.805 . . . . 41.24 113.207 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.66 136.72 51.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.99 0.424 . . . . 73.25 111.85 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.425 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 28.1 p -72.03 157.96 36.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.393 -0.367 . . . . 73.34 110.035 172.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -49.26 -38.54 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.05 0.453 . . . . 64.3 111.384 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -65.69 -39.22 91.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.065 -0.516 . . . . 62.45 111.368 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 53.6 mt-30 -65.92 -42.11 90.55 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.924 0.342 . . . . 75.23 111.924 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.08 -40.98 77.97 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.97 0.414 . . . . 65.33 110.612 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.06 97.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 50.12 111.335 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 27' ' ' ARG . 61.9 tp -62.03 -50.36 72.35 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.489 -0.323 . . . . 71.43 111.281 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 61' ' ' GLN . 98.0 t -56.07 -45.89 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.172 0.511 . . . . 74.23 111.025 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -62.16 -37.05 83.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.519 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 21.9 t70 -67.79 -45.58 74.42 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.61 -0.268 . . . . 73.12 111.033 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 64' ' ' LEU . 73.8 mt -54.34 -48.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.103 0.478 . . . . 71.24 110.993 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' HA ' HG22 ' A' ' 41' ' ' VAL . 53.0 ttp180 -61.61 -40.81 96.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.272 0.558 . . . . 74.4 110.884 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -60.42 -44.67 95.52 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.628 -0.714 . . . . 73.12 111.247 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 29.4 mmt180 -65.01 -46.41 81.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.872 0.368 . . . . 63.23 110.819 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.6 -40.26 98.92 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.072 -0.513 . . . . 61.14 113.488 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 112.417 0.525 . . . . 74.15 112.417 -179.275 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 121.205 0.526 . . . . 54.14 111.125 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.21 -45.29 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.643 -0.708 . . . . 73.52 111.252 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' HD21 ' A' ' 29' ' ' LEU . 34.9 mmt180 -61.39 -36.33 79.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.98 -0.554 . . . . 73.35 111.561 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.93 -42.79 84.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.11 0.481 . . . . 75.4 110.466 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -54.52 44.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.944 -0.571 . . . . 61.25 112.033 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD21 ' HD3' ' A' ' 26' ' ' ARG . 4.4 pp -68.58 -20.98 64.55 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.088 0.403 . . . . 61.21 112.088 -178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.85 98.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.124 0.488 . . . . 41.4 111.162 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mmm -100.37 -8.23 23.54 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.359 -0.382 . . . . 73.43 111.487 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 66.34 93.94 0.07 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.618 0.767 . . . . 74.22 112.467 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 51.4 mm -111.47 124.58 32.26 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.798 -0.637 . . . . 74.52 110.962 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 12.6 Cg_exo -70.39 -18.32 34.13 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.021 2.48 . . . . 63.12 114.851 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -116.69 149.33 43.73 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 112.423 0.527 . . . . 71.43 112.423 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.32 141.71 82.86 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.146 2.564 . . . . 44.41 114.097 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.448 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.4 p -61.07 -41.75 97.21 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.601 -0.727 . . . . 72.3 112.503 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -54.61 -48.86 71.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.363 -0.38 . . . . 75.03 111.894 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.06 -40.91 86.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.588 -0.278 . . . . 64.1 111.592 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.449 HD13 HG13 ' A' ' 65' ' ' VAL . 65.1 mt -52.68 -39.74 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.512 0.672 . . . . 52.52 111.228 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.79 -35.95 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.672 -0.694 . . . . 70.34 112.233 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -82.38 -29.56 30.79 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.959 0.726 . . . . 63.1 112.959 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.87 139.58 93.42 Favored Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 122.092 -0.38 . . . . 74.14 111.92 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.0 172.12 16.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.66 2.24 . . . . 75.13 111.968 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.89 -39.47 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 112.356 0.502 . . . . 70.33 112.356 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.06 -63.0 1.46 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.036 0.446 . . . . 73.43 111.598 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.64 -25.41 65.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.293 -0.412 . . . . 72.02 111.746 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.73 -50.68 68.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.022 0.439 . . . . 73.23 110.742 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -59.38 -45.15 92.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.155 -0.475 . . . . 61.33 110.903 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 58.6 mm-40 -57.62 -45.91 84.76 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.257 -0.429 . . . . 62.35 111.342 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 52.0 tp -58.37 -45.98 87.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.31 -0.405 . . . . 74.15 111.226 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.1 -30.6 71.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.424 -0.353 . . . . 64.01 111.543 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.47 60.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.883 0.373 . . . . 75.44 111.922 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 61.1 mtp180 -62.49 -49.24 76.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.833 0.679 . . . . 74.51 112.833 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 88.9 m-85 -102.71 143.96 27.66 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.253 0.464 . . . . 75.4 112.253 -172.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 7.4 Cg_exo -73.45 61.99 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.156 2.571 . . . . 52.4 112.932 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.32 137.35 35.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.94 0.4 . . . . 62.23 111.179 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 p -68.79 152.84 44.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.484 -0.326 . . . . 64.2 110.782 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -49.08 -39.59 28.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.636 0.606 . . . . 75.02 112.636 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -64.92 -32.53 74.29 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.056 0.455 . . . . 60.34 111.703 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' VAL . 56.8 mt-30 -69.06 -42.84 75.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.277 -0.265 . . . . 52.42 111.429 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.91 -40.64 85.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.965 0.412 . . . . 72.22 110.617 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.66 84.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.075 -0.511 . . . . 64.23 111.07 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.35 -46.56 88.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.362 -0.381 . . . . 64.31 111.281 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 61' ' ' GLN . 71.9 t -57.08 -41.55 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.976 0.417 . . . . 61.4 111.094 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 66' ' ' ARG . 60.9 mtt180 -64.27 -40.55 96.2 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.989 175.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 31.0 t70 -62.15 -44.74 95.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.975 176.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.04 -44.92 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.862 0.363 . . . . 60.31 111.175 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.416 ' HB2' HG22 ' A' ' 40' ' ' ILE . 49.8 ttt180 -59.01 -40.42 84.89 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.0 0.429 . . . . 74.33 110.528 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -62.88 -48.05 80.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.097 -0.501 . . . . 71.32 111.197 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 41.8 mtp85 -59.12 -39.52 82.55 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.115 0.413 . . . . 64.11 112.115 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.77 -49.03 15.0 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.085 -0.578 . . . . 75.24 112.774 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 120.988 0.423 . . . . 70.32 111.346 178.698 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.262 0.468 . . . . 64.31 112.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.22 -43.46 74.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.686 0.279 . . . . 60.35 111.416 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.52 -47.08 87.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.173 0.511 . . . . 75.0 111.019 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.596 ' HB3' HD21 ' A' ' 64' ' ' LEU . 14.2 mmt180 -59.29 -38.9 81.34 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.828 -0.624 . . . . 73.43 111.433 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.43 -52.51 63.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.233 -0.439 . . . . 55.33 111.963 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.96 -21.48 60.01 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.847 0.314 . . . . 74.5 111.847 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.02 -47.95 40.52 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.13 0.49 . . . . 73.11 111.515 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.55 ' HG3' HD22 ' A' ' 64' ' ' LEU . 95.3 mmm -90.13 1.98 55.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.359 -0.382 . . . . 72.13 111.367 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt 53.65 74.2 0.33 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.615 0.721 . . . . 74.31 111.874 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mm -92.22 119.07 68.36 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 115.603 -0.726 . . . . 44.24 110.778 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' HD21 ' A' ' 57' ' ' LEU . 66.3 Cg_endo -72.07 16.33 0.36 Allowed 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 122.929 2.419 . . . . 72.1 114.775 -174.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' A' ' 57' ' ' LEU . 37.2 p90 -148.94 147.61 24.67 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 120.644 0.259 . . . . 73.25 111.158 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.85 149.17 59.5 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.852 2.368 . . . . 73.33 114.172 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.536 ' HA ' HD12 ' A' ' 40' ' ' ILE . 53.4 p -67.94 -34.21 76.15 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.106 -0.497 . . . . 65.41 111.491 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.07 -46.42 65.15 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.195 0.522 . . . . 71.52 110.682 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -60.58 -39.63 88.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.887 -0.597 . . . . 73.14 110.963 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 65' ' ' VAL . 69.9 mt -58.87 -28.28 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.797 -0.638 . . . . 70.14 111.715 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.16 -41.2 13.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.214 -0.448 . . . . 70.23 112.119 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -69.36 -30.03 67.95 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 73.51 112.042 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.04 127.1 70.66 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 120.897 0.379 . . . . 71.31 111.551 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.95 164.78 30.46 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.282 1.988 . . . . 72.05 112.018 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -48.42 -33.34 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.56 0.578 . . . . 72.43 112.56 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.94 -62.57 1.77 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.858 0.361 . . . . 71.33 111.206 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.08 -30.15 70.61 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.072 0.463 . . . . 73.22 111.568 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' HG12 ' A' ' 65' ' ' VAL . 82.0 t80 -59.69 -54.91 40.85 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.926 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.68 -29.11 67.85 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.911 0.386 . . . . 74.01 111.603 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -68.18 -47.31 68.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 72.35 111.238 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.91 -39.97 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.332 -0.395 . . . . 74.43 111.634 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.84 -30.47 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.469 0.544 . . . . 71.35 112.469 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.83 -7.06 56.86 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.16 0.429 . . . . 74.33 112.16 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -103.3 4.09 36.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.407 0.521 . . . . 63.54 112.407 -174.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -141.73 136.49 15.42 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.667 -0.242 . . . . 72.42 111.206 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.72 103.54 0.71 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.95 2.434 . . . . 64.22 113.03 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 34' ' ' PRO . 96.4 mt -133.21 145.76 50.87 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.059 0.457 . . . . 73.45 111.427 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -81.31 157.61 25.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.513 -0.312 . . . . 61.14 110.611 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.41 -37.02 46.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.165 0.432 . . . . 72.42 112.165 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.3 m -63.14 -36.45 83.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.063 0.459 . . . . 74.03 111.062 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.1 mt-30 -72.58 -43.21 63.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.433 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.01 -45.39 92.93 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.19 -0.319 . . . . 62.42 111.446 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.72 63.99 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 53.12 111.197 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 27' ' ' ARG . 55.0 tp -67.61 -53.76 25.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.808 -0.633 . . . . 61.14 111.248 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 40' ' ' ILE . 98.1 t -54.49 -39.94 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.037 0.446 . . . . 74.14 111.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -65.75 -35.23 80.15 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.805 0.336 . . . . 74.51 111.345 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 17.2 t70 -65.22 -48.74 72.29 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.932 0.396 . . . . 73.53 110.279 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -49.51 -50.91 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 115.915 -0.584 . . . . 73.42 111.369 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -58.28 -43.62 88.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.247 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -56.59 -36.4 69.34 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 111.977 0.362 . . . . 65.34 111.977 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 18.0 mmt180 -81.94 -62.91 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.257 0.551 . . . . 73.03 111.586 -176.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.79 -36.28 91.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 116.029 -0.532 . . . . 65.13 114.39 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 N--CA 1.471 0.585 0 O-C-N 122.401 -0.47 . . . . 44.55 111.974 -176.182 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 120.838 0.352 . . . . 75.12 111.783 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -58.48 -47.68 83.26 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.526 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -68.76 -34.04 74.9 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.608 0.242 . . . . 73.23 111.412 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -58.88 -44.67 91.17 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.154 0.502 . . . . 65.44 110.689 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.74 80.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.833 -0.621 . . . . 73.22 112.122 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.87 -21.59 54.72 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.578 0.584 . . . . 75.03 112.578 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.56 -46.97 44.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.016 0.436 . . . . 61.34 111.552 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.64 -11.77 58.97 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.199 -0.455 . . . . 64.12 111.059 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt 64.6 84.1 0.16 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.758 0.823 . . . . 73.12 112.135 -176.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.05 114.79 63.69 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 115.746 -0.661 . . . . 65.41 110.307 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -76.35 24.85 0.44 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 122.808 2.339 . . . . 51.24 114.467 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -155.52 153.39 26.38 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.799 0.333 . . . . 73.21 111.691 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.4 141.26 80.45 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.054 2.503 . . . . 72.41 113.881 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.417 ' HA ' HD12 ' A' ' 40' ' ' ILE . 47.8 p -66.62 -21.98 66.12 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.05 -0.523 . . . . 73.13 111.73 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -58.34 -58.2 9.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.894 0.378 . . . . 55.24 110.835 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.92 -35.84 35.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.057 -0.519 . . . . 71.41 111.828 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 37' ' ' THR . 63.0 mt -55.7 -44.41 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.27 0.557 . . . . 52.44 111.927 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.29 -20.09 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.154 -0.476 . . . . 73.44 111.948 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.16 -40.1 27.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.7 149.23 74.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.595 0.591 . . . . 72.41 112.595 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.98 172.93 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.582 2.188 . . . . 74.04 111.979 172.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -46.18 69.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 113.29 0.848 . . . . 74.03 113.29 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.3 -53.85 49.1 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.039 0.385 . . . . 72.3 112.039 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.97 -38.04 84.55 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.044 0.449 . . . . 74.44 110.919 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.66 -42.95 79.83 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.832 -0.622 . . . . 74.32 111.07 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.27 -46.68 85.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 71.22 111.136 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.0 mt-10 -61.12 -43.5 98.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.2 -45.7 53.85 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.213 -0.449 . . . . 74.53 111.427 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.44 -31.07 72.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.065 -0.516 . . . . 75.32 112.149 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.75 -33.93 19.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.443 0.535 . . . . 34.43 112.443 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.7 mtt180 -69.16 -36.32 77.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.841 0.353 . . . . 63.41 111.768 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -97.79 142.68 24.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.79 0.329 . . . . 64.3 111.622 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.47 89.61 0.33 Allowed 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.254 1.969 . . . . 54.53 112.011 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 89.2 mt -113.16 144.46 42.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.06 0.457 . . . . 73.33 112.195 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 p -89.52 162.66 15.58 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.3 -0.409 . . . . 62.43 110.484 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -49.93 -42.31 48.07 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.848 0.356 . . . . 70.44 111.691 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.444 -0.344 . . . . 75.05 111.795 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 mt-30 -69.84 -46.05 66.47 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.646 0.239 . . . . 73.33 111.646 178.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.7 mp -55.1 -41.97 72.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.026 0.441 . . . . 73.12 110.353 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.11 79.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.045 -0.525 . . . . 71.22 111.31 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.83 -41.21 90.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.845 0.355 . . . . 75.24 111.79 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.2 t -63.45 -44.57 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.698 0.285 . . . . 70.14 111.274 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 75.7 mtt-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.913 0.387 . . . . 74.04 110.629 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.415 ' CG ' HH12 ' A' ' 71' ' ' ARG . 33.9 t70 -59.1 -52.08 67.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.83 -0.623 . . . . 74.11 110.994 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.03 -44.08 95.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 121.076 0.465 . . . . 73.52 111.183 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -53.23 -43.24 67.13 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.797 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.5 -59.54 4.83 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.094 -0.503 . . . . 73.05 111.349 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.415 HH12 ' CG ' ' A' ' 67' ' ' ASP . 91.4 mtm-85 -58.91 -35.56 73.27 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.165 0.432 . . . . 65.12 112.165 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.13 92.9 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.898 -0.667 . . . . 75.32 113.402 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 112.644 0.609 . . . . 72.41 112.644 -178.067 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.661 0.267 . . . . 74.22 111.565 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.54 -41.64 73.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.922 0.391 . . . . 74.44 112.054 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 61.8 mtp180 -63.78 -35.59 81.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.641 0.258 . . . . 63.4 111.577 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.9 -36.38 83.14 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.078 0.466 . . . . 75.42 110.749 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 -53.05 50.79 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.244 -0.434 . . . . 74.34 111.755 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.4 pp -70.08 -24.09 63.18 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.012 0.375 . . . . 62.43 112.012 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.05 92.97 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.142 0.496 . . . . 50.44 110.916 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.7 mmm -96.06 8.22 44.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.921 -0.581 . . . . 74.33 111.443 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HB3' ' NZ ' ' A' ' 32' ' ' LYS . 7.3 mtpm? 56.78 69.92 0.7 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.647 0.61 . . . . 73.15 112.647 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.34 117.48 67.42 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 116.303 -0.408 . . . . 74.25 110.845 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.66 27.53 0.56 Allowed 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.92 2.414 . . . . 41.44 114.324 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -155.64 144.65 14.96 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 122.242 -0.286 . . . . 74.33 111.498 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.29 137.79 44.68 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.727 2.284 . . . . 74.11 113.78 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 40' ' ' ILE . 60.2 p -63.64 -33.77 76.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.917 -0.583 . . . . 70.04 111.671 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.97 -49.84 38.64 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.262 0.553 . . . . 74.41 110.941 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.3 -42.09 99.07 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.888 -0.597 . . . . 73.35 111.182 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 37' ' ' THR . 73.8 mt -52.68 -42.92 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.342 0.591 . . . . 73.52 111.366 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.5 t -76.85 -33.63 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.928 -0.578 . . . . 70.03 112.097 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -78.51 -33.34 48.11 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.571 0.582 . . . . 73.31 112.571 -176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -69.13 147.6 97.54 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-O 121.002 0.43 . . . . 71.53 112.032 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.95 168.95 23.14 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.347 2.031 . . . . 64.23 111.713 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.62 -34.0 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 120.901 0.381 . . . . 74.32 111.735 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.49 -61.36 2.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.581 0.352 . . . . 73.5 111.597 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.96 -35.58 78.88 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.803 0.335 . . . . 70.22 111.773 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.26 -51.34 70.19 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.999 0.428 . . . . 73.03 111.433 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -57.24 -44.26 83.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.314 -0.403 . . . . 75.34 111.19 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 43.7 mt-10 -59.37 -46.6 88.22 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.078 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.84 -45.42 74.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.991 -0.549 . . . . 74.24 111.546 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.63 -30.41 70.68 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.304 0.483 . . . . 72.33 112.304 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.61 24.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.257 0.466 . . . . 72.12 112.257 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 90.4 mtt180 -69.71 -49.47 53.0 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -84.7 132.81 45.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 122.223 -0.298 . . . . 74.15 111.493 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.88 87.44 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.604 2.202 . . . . 73.2 112.826 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 81.6 mt -107.82 159.41 16.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.154 -0.475 . . . . 72.11 111.272 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.423 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 43.4 p -80.66 157.74 25.85 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.296 -0.261 . . . . 74.22 110.296 173.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.01 -37.46 45.28 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.847 0.356 . . . . 62.24 111.762 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -63.4 -41.54 98.74 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.404 -0.362 . . . . 74.52 111.49 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 55.3 mt-30 -64.67 -45.39 86.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.852 -0.158 . . . . 64.12 111.417 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.47 -42.0 86.5 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.904 0.383 . . . . 74.32 110.919 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.83 96.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.982 0.42 . . . . 51.13 111.175 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 31' ' ' MET . 59.8 tp -56.76 -50.51 72.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.06 -0.518 . . . . 70.12 111.072 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 40' ' ' ILE . 73.1 t -56.4 -37.0 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.609 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -67.95 -36.98 81.02 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 122.156 -0.34 . . . . 71.41 111.267 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -66.29 -42.31 88.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.853 0.359 . . . . 65.02 110.421 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 37' ' ' THR . 76.7 mt -57.08 -46.61 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.095 0.474 . . . . 74.34 111.027 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -59.4 -45.05 92.58 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.137 0.494 . . . . 74.52 111.366 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -63.98 -48.65 75.59 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.135 -0.484 . . . . 74.23 112.046 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.414 ' NH2' HG12 ' A' ' 68' ' ' ILE . 23.1 ptt180 -76.88 -30.27 56.16 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.859 0.362 . . . . 73.12 111.759 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.12 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.171 -0.537 . . . . 72.01 112.794 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? . . . . . 0 CA--C 1.542 0.672 0 O-C-N 122.403 -0.469 . . . . 73.52 110.49 177.226 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 121.175 0.512 . . . . 70.42 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.2 -40.27 73.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.81 -0.632 . . . . 72.31 111.149 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -59.04 -40.77 86.08 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.369 -0.378 . . . . 72.23 111.174 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.3 -44.69 94.29 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.05 0.452 . . . . 62.25 110.785 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.05 -58.14 9.99 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.087 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -65.16 -28.25 69.28 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.796 0.295 . . . . 63.13 111.796 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -64.81 -37.15 86.65 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.948 0.404 . . . . 71.31 111.266 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.565 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.4 mmm -99.18 11.65 38.44 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.362 -0.381 . . . . 72.33 111.321 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 56.11 48.21 18.04 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.606 0.595 . . . . 72.23 112.606 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.6 mm -75.74 119.67 78.16 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.814 -0.63 . . . . 64.24 110.924 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -82.52 29.27 0.55 Allowed 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 122.889 2.393 . . . . 45.54 114.496 -175.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -157.16 144.6 13.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 111.833 0.309 . . . . 73.25 111.833 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.79 147.83 81.63 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 123.176 2.584 . . . . 73.3 114.065 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.551 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.1 p -71.81 -35.16 69.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.854 -0.612 . . . . 63.34 112.506 -177.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -56.88 -42.56 80.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.893 0.378 . . . . 73.13 110.992 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -60.79 -48.95 79.49 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.405 -0.361 . . . . 73.43 110.475 176.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.553 HD13 HG13 ' A' ' 65' ' ' VAL . 80.1 mt -48.98 -46.55 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.221 0.534 . . . . 64.43 111.784 177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 60.6 t -70.84 -40.82 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.931 -0.577 . . . . 74.13 112.427 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -90.09 -2.83 58.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.1 0.778 . . . . 73.2 113.1 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 27.8 mt -75.37 145.41 79.65 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 122.168 -0.332 . . . . 72.24 111.217 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 33.8 Cg_exo -58.7 160.7 16.84 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.397 2.065 . . . . 74.14 112.035 171.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.86 -40.23 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 64.43 110.97 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -53.96 24.72 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.038 -0.528 . . . . 72.13 111.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -62.38 -32.31 73.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.677 0.275 . . . . 72.33 111.719 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.56 -50.12 73.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.962 0.411 . . . . 75.32 110.977 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.58 -40.59 95.3 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.349 -0.387 . . . . 64.41 111.062 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.3 mm-40 -55.5 -47.96 75.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.955 0.407 . . . . 62.33 110.647 172.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.6 tp -51.24 -53.69 32.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.94 -0.573 . . . . 74.42 111.611 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.508 HD21 HG11 ' A' ' 65' ' ' VAL . 84.4 mt -68.45 -21.98 64.61 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.379 0.511 . . . . 64.24 112.379 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.72 -19.6 34.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.088 0.47 . . . . 54.44 111.502 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 83.4 mtt180 -94.17 -28.67 15.53 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.134 0.42 . . . . 73.11 112.134 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -100.88 115.96 64.66 Favored Pre-proline 0 N--CA 1.471 0.619 0 N-CA-C 111.72 0.267 . . . . 73.34 111.72 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.33 75.81 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.627 2.218 . . . . 73.32 112.974 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 83.1 mt -94.2 158.2 15.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.994 -0.548 . . . . 62.22 111.325 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -80.26 157.91 26.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.526 -0.306 . . . . 70.15 110.831 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -43.33 -55.75 3.9 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.99 0.737 . . . . 74.32 112.99 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.4 m -54.94 -32.69 61.54 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.562 0.578 . . . . 64.01 112.562 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.2 mt-30 -70.98 -45.87 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.587 0.217 . . . . 70.13 111.587 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 62' ' ' LEU . 6.0 mp -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.951 0.405 . . . . 74.21 110.588 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.14 73.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.088 -0.505 . . . . 63.15 111.113 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.565 HD22 ' HG3' ' A' ' 31' ' ' MET . 54.8 tp -71.21 -51.85 22.4 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.405 -0.361 . . . . 72.42 111.331 176.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.553 HG13 HD13 ' A' ' 40' ' ' ILE . 86.4 t -52.34 -45.2 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 112.206 0.447 . . . . 74.12 112.206 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 66' ' ' ARG . 46.9 mtt180 -64.21 -35.29 80.33 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.898 0.38 . . . . 72.22 111.415 177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 38.7 t70 -71.47 -36.34 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.757 0.313 . . . . 61.55 111.019 177.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LEU . 75.3 mt -59.96 -44.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.75 0.31 . . . . 71.12 111.458 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.573 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 44.9 ttt-85 -58.87 -39.01 80.1 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.412 0.625 . . . . 72.5 110.207 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -64.95 -40.54 95.18 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.697 -0.683 . . . . 70.03 111.125 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 23.8 mtp180 -68.22 -28.06 66.91 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.917 -0.583 . . . . 71.11 112.105 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.1 -40.54 11.37 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.75 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.857 0.688 . . . . 61.43 112.857 -177.292 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.966 ' HB3' HH22 ' A' ' 71' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 111.705 0.261 . . . . 73.14 111.705 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -51.15 -46.91 62.17 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.871 0.367 . . . . 62.1 111.583 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -63.96 -35.55 81.05 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.922 0.342 . . . . 73.23 111.922 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -71.99 -37.46 69.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.843 0.354 . . . . 74.52 111.215 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -57.23 13.83 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 30' ' ' ALA . 3.9 pp -64.86 -26.28 68.26 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.456 -0.338 . . . . 74.02 111.836 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -70.25 -43.24 70.94 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.947 0.404 . . . . 72.25 111.503 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.0 mmm -87.39 14.3 8.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.324 -0.398 . . . . 72.41 111.867 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 53.84 2.95 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.446 0.535 . . . . 74.11 112.446 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.48 112.37 55.09 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 116.628 -0.26 . . . . 72.43 110.458 174.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.09 -12.37 17.58 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.791 2.327 . . . . 75.22 114.441 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -113.9 144.17 30.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 120.801 0.334 . . . . 72.32 111.774 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.25 147.53 83.56 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.04 2.494 . . . . 73.52 114.023 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.439 ' HA ' HD12 ' A' ' 40' ' ' ILE . 80.6 p -64.15 -33.23 75.31 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.74 -0.664 . . . . 74.31 112.107 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.93 -35.34 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.011 0.434 . . . . 64.42 111.487 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.4 ttmt -69.39 -42.64 74.85 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.939 0.4 . . . . 74.31 110.376 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.4 mt -55.1 -48.5 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 115.875 -0.602 . . . . 53.11 111.923 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.49 -35.77 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 112.624 0.602 . . . . 74.44 112.624 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.51 -2.68 58.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.638 0.977 . . . . 72.31 113.638 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 51' ' ' LEU . 79.2 mt -88.79 136.92 30.32 Favored Pre-proline 0 N--CA 1.473 0.681 0 O-C-N 122.048 -0.407 . . . . 71.11 111.285 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.26 170.65 19.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.632 2.221 . . . . 74.33 112.106 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.17 -46.51 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.555 0.576 . . . . 63.5 112.555 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 9.0 m-20 -62.38 -63.16 1.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.57 -33.84 66.54 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.851 0.315 . . . . 61.44 111.851 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HE1' HG23 ' A' ' 40' ' ' ILE . 82.1 t80 -62.83 -52.22 63.98 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.36 -0.382 . . . . 73.21 111.399 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -61.53 -29.55 70.07 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.114 0.483 . . . . 64.31 111.193 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 46.1 mt-10 -72.84 -40.97 65.31 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.666 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 43' ' ' LEU . 49.5 tp -52.8 -48.01 67.19 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.083 0.468 . . . . 73.24 110.951 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -57.38 -37.44 72.67 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.987 -0.551 . . . . 73.34 111.772 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.32 -18.31 55.37 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.594 0.59 . . . . 60.23 112.594 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.8 mtp180 -89.18 -4.16 58.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.215 0.45 . . . . 74.35 112.215 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 91.8 m-85 -129.7 137.48 31.01 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-O 120.593 0.235 . . . . 54.14 111.512 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 11.9 Cg_exo -70.27 73.86 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.788 2.325 . . . . 43.41 112.63 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.03 149.77 24.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.153 0.502 . . . . 65.32 111.635 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.5 p -85.83 157.69 20.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.365 -0.38 . . . . 54.12 110.522 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.14 -36.9 20.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.101 0.477 . . . . 72.23 111.434 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m -63.3 -42.55 99.04 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.04 -0.527 . . . . 72.52 111.321 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.8 mt-30 -65.91 -45.47 81.79 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.607 -0.269 . . . . 72.54 111.235 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.28 -35.73 72.22 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.904 0.383 . . . . 73.25 110.884 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.54 89.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.758 0.313 . . . . 53.42 111.095 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.57 -47.8 83.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.462 -0.335 . . . . 74.22 111.846 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 61' ' ' GLN . 58.6 t -56.49 -42.5 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.052 0.453 . . . . 71.13 111.116 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -66.89 -36.77 83.05 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.247 -0.433 . . . . 75.35 111.796 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.67 -50.03 74.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.276 0.56 . . . . 71.1 110.984 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.46 -42.9 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.816 -0.629 . . . . 74.03 111.312 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -39.44 93.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.628 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.99 -61.32 2.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.91 0.386 . . . . 74.24 111.24 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.966 HH22 ' HB3' ' A' ' 24' ' ' ASP . 47.1 mtm105 -66.57 -36.7 83.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.543 -0.299 . . . . 71.43 111.654 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.55 -49.08 76.84 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.417 -0.42 . . . . 62.3 112.96 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? . . . . . 0 CA--C 1.536 0.439 0 O-C-N 122.254 -0.556 . . . . 71.0 110.437 177.854 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 111.978 0.362 . . . . 72.23 111.978 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 43.5 mt-10 -51.78 -43.35 62.99 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.207 0.447 . . . . 75.41 112.207 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -53.16 -28.7 27.57 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.843 0.312 . . . . 74.52 111.843 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 27' ' ' ARG . 8.9 mpt_? -85.5 -42.71 14.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.14 0.495 . . . . 73.54 110.851 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.12 -53.58 56.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.033 -0.531 . . . . 61.11 111.886 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 4.1 pp -68.41 -30.23 69.08 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.918 0.34 . . . . 74.3 111.918 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -63.22 -32.84 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.104 0.478 . . . . 33.22 111.271 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.632 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 95.6 mmm -98.85 -14.6 19.56 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.152 -0.476 . . . . 71.43 111.345 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 71.57 89.39 0.1 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.55 0.74 . . . . 74.13 112.091 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 35' ' ' PHE . 50.1 mm -106.77 118.45 54.26 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.699 -0.682 . . . . 72.32 110.939 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -78.65 18.75 0.93 Allowed 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.866 2.377 . . . . 72.4 114.661 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' H ' HG22 ' A' ' 33' ' ' ILE . 27.8 p90 -149.18 146.56 21.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 121.961 -0.462 . . . . 74.53 111.68 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.04 150.85 84.86 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.923 2.415 . . . . 61.53 113.736 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.0 p -62.87 -35.95 81.68 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.622 -0.717 . . . . 72.33 112.737 -176.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.1 -43.71 95.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.942 0.401 . . . . 74.23 111.482 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -51.73 -42.04 61.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.287 0.565 . . . . 73.1 111.127 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.59 -43.1 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.603 -0.726 . . . . 75.0 112.654 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 69' ' ' ARG . 42.6 t -88.47 -35.88 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 112.317 0.488 . . . . 73.43 112.317 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -79.71 -23.22 42.51 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.639 0.978 . . . . 75.2 113.639 -173.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 HD22 ' A' ' 51' ' ' LEU . 34.1 mt -66.45 142.54 97.76 Favored Pre-proline 0 N--CA 1.476 0.866 0 O-C-N 121.996 -0.44 . . . . 64.24 111.779 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 159.07 34.89 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.292 1.995 . . . . 32.35 112.044 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.41 -44.95 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 113.123 0.786 . . . . 62.43 113.123 -172.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.01 -55.54 33.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.939 0.4 . . . . 61.23 111.362 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.87 -25.03 68.09 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.487 -0.324 . . . . 75.45 111.866 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 51' ' ' LEU . 77.0 t80 -67.92 -51.02 52.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.022 0.439 . . . . 71.11 110.809 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -60.99 -38.83 87.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.133 0.492 . . . . 74.31 110.786 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 55.2 mt-10 -73.54 -26.77 61.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.121 -0.491 . . . . 63.52 111.609 177.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 43' ' ' LEU . 55.8 tp -52.69 -42.62 64.95 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.246 0.546 . . . . 75.13 110.68 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 mt -72.09 -18.86 61.88 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.54 -0.755 . . . . 72.23 112.02 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.53 -34.44 15.54 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.152 0.501 . . . . 72.03 111.671 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 96.6 mtt180 -74.62 -33.99 62.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.043 -0.526 . . . . 73.33 110.856 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -110.14 127.96 26.17 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.541 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.08 108.52 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.774 2.316 . . . . 65.14 113.325 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 94.4 mt -130.17 148.91 52.06 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.031 0.443 . . . . 73.04 111.659 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -85.45 159.93 19.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.43 -0.35 . . . . 73.11 110.439 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.64 -50.04 7.53 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.387 0.884 . . . . 74.43 113.387 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 122.21 -0.306 . . . . 64.42 111.776 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.632 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 53.1 mt-30 -68.07 -40.65 82.69 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.586 0.232 . . . . 64.23 110.84 176.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.94 -44.04 97.82 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.17 0.51 . . . . 75.24 110.4 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.56 94.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.957 -0.565 . . . . 52.05 111.237 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.6 -50.14 72.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.245 -0.434 . . . . 73.14 111.449 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 61' ' ' GLN . 86.0 t -57.22 -44.68 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 120.978 0.418 . . . . 61.25 111.224 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.41 -27.69 68.72 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.824 0.345 . . . . 75.31 111.509 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 7.9 t70 -75.3 -44.69 44.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.88 0.371 . . . . 71.22 110.729 177.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.76 -43.81 84.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.507 -0.315 . . . . 64.21 110.726 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HA ' HG22 ' A' ' 41' ' ' VAL . 12.7 ttm180 -60.93 -37.25 81.64 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.644 0.259 . . . . 65.21 111.036 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 67' ' ' ASP . 30.7 ttm180 -60.51 -50.65 72.7 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.97 0.414 . . . . 74.02 111.01 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 24.9 mmm180 -67.53 -39.03 85.06 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.37 -0.377 . . . . 71.4 111.357 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -38.17 79.97 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.023 -0.608 . . . . 65.15 112.978 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 CA--C 1.535 0.4 0 O-C-N 122.63 -0.335 . . . . 73.42 110.971 177.397 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.2 m-20 . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 112.218 0.451 . . . . 71.21 112.218 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.3 -48.64 79.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.185 0.517 . . . . 63.12 110.446 171.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 22.3 mtm180 -66.06 -32.64 74.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.869 -0.605 . . . . 73.13 111.724 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.541 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 80.3 mtp180 -60.38 -45.17 94.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 74.34 110.161 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.02 -57.2 12.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.566 -0.743 . . . . 71.12 112.161 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.5 pp -64.76 -31.86 73.29 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.208 0.447 . . . . 64.23 112.208 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.458 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -64.27 -45.63 87.2 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.315 0.578 . . . . 71.51 110.851 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.562 ' HG3' HD22 ' A' ' 64' ' ' LEU . 95.6 mmm -81.16 0.9 34.28 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.319 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm 64.44 39.24 7.09 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.689 0.626 . . . . 73.45 112.689 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.75 118.89 62.1 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.293 -0.412 . . . . 61.34 111.09 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.31 24.75 0.72 Allowed 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 123.044 2.496 . . . . 63.45 114.939 -173.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -148.8 150.98 34.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 122.158 -0.339 . . . . 60.44 111.682 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.01 145.19 66.73 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 123.015 2.477 . . . . 64.14 114.255 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.52 ' HA ' HD12 ' A' ' 40' ' ' ILE . 67.5 p -70.55 -43.44 69.53 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.79 -0.641 . . . . 74.41 112.606 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.09 -45.44 61.49 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.747 0.308 . . . . 74.32 111.491 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -57.0 -49.33 76.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.677 0.275 . . . . 73.15 110.906 175.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 37' ' ' THR . 77.1 mt -47.85 -47.9 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.223 0.535 . . . . 53.12 111.76 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 46.6 t -68.49 -37.89 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.918 -0.583 . . . . 63.21 111.929 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -93.73 2.39 56.28 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.186 0.809 . . . . 64.01 113.186 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 33.5 mt -80.45 141.28 52.67 Favored Pre-proline 0 N--CA 1.471 0.612 0 CA-C-O 120.997 0.427 . . . . 65.34 111.98 174.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.4 159.09 55.01 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.508 2.138 . . . . 73.11 111.24 170.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.87 -33.49 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.04 0.447 . . . . 75.53 111.747 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.0 -63.23 1.21 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.263 -0.426 . . . . 74.13 112.067 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.12 -30.75 70.84 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.081 0.4 . . . . 62.11 112.081 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.84 -54.23 45.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.812 0.339 . . . . 75.12 111.754 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.46 -33.27 67.78 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.965 0.412 . . . . 63.12 111.543 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.16 -39.39 63.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.472 -0.331 . . . . 74.21 111.272 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.5 tp -52.65 -47.29 67.21 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.006 0.431 . . . . 74.23 111.172 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -55.2 -47.26 75.53 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.955 -0.566 . . . . 63.5 111.798 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.88 -15.73 61.59 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.42 0.526 . . . . 42.44 112.42 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -83.81 -10.95 57.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.238 0.459 . . . . 75.33 112.238 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -118.89 152.36 51.55 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 120.847 0.356 . . . . 74.11 111.841 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.81 46.91 2.03 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 122.956 2.438 . . . . 64.12 113.155 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 80.9 mt -76.35 149.4 36.99 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.144 0.497 . . . . 61.11 111.92 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.0 p -90.18 161.77 15.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.18 -0.464 . . . . 54.21 111.122 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -53.61 -22.78 9.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.018 0.377 . . . . 72.54 112.018 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.7 m -80.69 -38.21 29.35 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.189 0.518 . . . . 74.41 110.942 174.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.0 mt-30 -69.86 -43.26 72.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.325 0.491 . . . . 75.44 112.325 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.21 -34.4 70.35 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.033 0.444 . . . . 72.05 110.892 175.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -50.06 67.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.28 -0.418 . . . . 24.33 110.943 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 31' ' ' MET . 52.1 tp -57.81 -46.08 85.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.45 -0.341 . . . . 71.31 111.787 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 61' ' ' GLN . 93.2 t -56.77 -47.59 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.172 0.511 . . . . 35.31 111.348 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -71.39 -25.5 62.38 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.344 -0.389 . . . . 72.33 111.621 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.51 -56.86 6.16 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.885 0.374 . . . . 71.44 110.656 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.53 -36.77 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.234 -0.439 . . . . 73.01 111.007 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 36.7 ttt-85 -59.22 -41.92 89.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.067 0.46 . . . . 72.42 110.674 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.1 -48.13 74.77 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.176 0.512 . . . . 52.55 110.158 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -49.21 -34.44 14.8 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.655 -0.702 . . . . 73.32 112.112 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.03 -49.04 4.16 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.379 -0.439 . . . . 71.13 113.294 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 N--CA 1.471 0.607 0 O-C-N 122.316 -0.52 . . . . 71.05 111.999 -177.444 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.514 0.197 . . . . 74.24 111.35 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.34 -41.62 51.74 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.067 0.461 . . . . 53.41 111.202 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -61.81 -27.7 68.94 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.403 0.52 . . . . 73.42 112.403 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HB3' HD21 ' A' ' 64' ' ' LEU . 7.8 mpt_? -69.59 -44.67 70.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.104 0.478 . . . . 74.01 110.41 172.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -60.88 3.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.951 -0.568 . . . . 32.41 112.122 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -61.72 -26.05 67.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.276 0.472 . . . . 75.42 112.276 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -70.59 -37.88 73.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 62.11 111.757 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.533 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.8 mmm -101.07 23.01 11.39 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.138 0.422 . . . . 64.45 112.138 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.57 36.6 19.8 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.352 0.501 . . . . 75.45 112.352 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -83.92 105.72 6.34 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 116.546 -0.297 . . . . 75.31 110.496 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.62 14.99 1.7 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.55 2.167 . . . . 70.53 114.616 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -132.62 143.42 48.65 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 122.015 -0.428 . . . . 74.5 111.625 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.73 150.97 79.36 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.112 2.541 . . . . 64.03 114.048 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.8 p -61.45 -28.81 69.54 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.3 -0.409 . . . . 62.33 111.714 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.35 -53.08 39.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 74.41 110.903 173.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -55.79 -43.81 77.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.978 -0.555 . . . . 74.24 111.267 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.74 -44.89 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 121.132 0.492 . . . . 73.03 111.935 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.19 -31.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 112.28 0.474 . . . . 74.23 112.28 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -77.77 -46.27 22.17 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.325 0.491 . . . . 71.03 112.325 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.9 137.05 97.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.029 0.442 . . . . 73.22 112.188 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.99 171.77 15.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.519 2.146 . . . . 65.21 111.935 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.09 -30.93 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.944 0.402 . . . . 70.2 111.133 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.98 -62.55 1.58 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.964 -0.562 . . . . 72.24 111.283 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -70.25 -30.65 67.76 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.413 -0.358 . . . . 71.32 111.755 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -58.3 -48.74 79.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 73.31 111.373 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.31 -42.63 87.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.213 0.53 . . . . 70.44 111.399 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.0 mm-40 -72.05 -33.53 68.04 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.074 -0.512 . . . . 61.34 111.444 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.5 tp -59.45 -52.54 65.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.205 0.526 . . . . 71.54 110.49 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.431 HD21 HG11 ' A' ' 65' ' ' VAL . 84.2 mt -63.64 -19.25 64.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.613 -0.722 . . . . 75.13 111.738 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.67 -32.12 18.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.888 0.329 . . . . 72.0 111.888 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 88.5 mtt-85 -72.01 -42.48 66.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.002 0.429 . . . . 61.13 111.491 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -86.19 143.37 36.9 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.391 -0.368 . . . . 72.12 110.922 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.87 43.4 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.912 2.408 . . . . 65.13 113.197 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.51 148.14 48.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.171 0.51 . . . . 64.51 111.744 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.1 p -92.1 161.76 14.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.078 -0.51 . . . . 64.12 110.353 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -47.77 -42.7 26.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.853 0.359 . . . . 73.14 111.957 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 m -57.39 -35.48 70.06 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.077 0.465 . . . . 74.04 111.412 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.5 mt-30 -77.36 -46.93 21.25 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.659 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.4 -46.13 80.28 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.852 0.358 . . . . 71.4 111.282 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.44 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.279 -0.418 . . . . 73.34 111.686 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.533 HD22 ' HG3' ' A' ' 31' ' ' MET . 57.8 tp -64.5 -46.63 82.12 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.727 0.298 . . . . 63.03 111.566 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -54.26 -37.01 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.083 0.468 . . . . 72.54 111.058 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -62.88 -47.62 82.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.323 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.79 -42.26 97.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.23 111.134 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.27 -45.55 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.306 -0.406 . . . . 74.32 111.326 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.6 ttt85 -60.42 -45.31 94.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.794 0.33 . . . . 72.45 111.722 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.11 -54.43 41.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.384 -0.371 . . . . 74.15 111.415 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 71' ' ' ARG . 44.2 mtp180 -69.68 -33.01 71.96 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.011 0.374 . . . . 74.52 112.011 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -49.29 52.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 121.203 -0.522 . . . . 73.03 113.137 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 CA--C 1.542 0.658 0 O-C-N 122.482 -0.422 . . . . 72.04 111.417 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 120.662 0.268 . . . . 40.03 111.307 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -53.8 -48.69 69.57 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.987 0.422 . . . . 60.44 111.297 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.8 -29.28 64.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.992 -0.549 . . . . 70.03 111.706 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HB3' HD11 ' A' ' 64' ' ' LEU . 90.9 mtt180 -78.24 -42.19 31.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.193 0.52 . . . . 63.3 110.822 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.37 61.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.891 -0.595 . . . . 53.13 111.867 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.55 -22.75 66.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.93 0.395 . . . . 74.45 111.933 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.17 63.53 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.918 0.389 . . . . 55.54 111.688 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.3 mmm -106.21 14.02 28.13 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 111.969 0.359 . . . . 64.22 111.969 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mttp 60.28 38.66 19.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.109 0.781 . . . . 74.14 113.109 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.7 mm -65.27 115.5 22.12 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 120.525 0.202 . . . . 71.21 110.878 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -86.25 21.89 1.02 Allowed 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.06 2.507 . . . . 64.41 114.568 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 33.6 p90 -147.08 154.36 46.39 Favored Pre-proline 0 N--CA 1.472 0.635 0 O-C-N 122.035 -0.416 . . . . 64.04 111.723 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 22.4 Cg_endo -59.63 137.38 76.97 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.225 2.617 . . . . 45.4 114.482 -173.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 -40.25 84.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.779 -0.646 . . . . 71.02 111.862 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.72 -36.16 66.91 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.965 0.412 . . . . 74.32 111.432 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.37 -41.34 98.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.776 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.55 -35.73 60.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.358 0.599 . . . . 54.33 111.212 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.71 -40.82 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 115.762 -0.654 . . . . 43.41 112.308 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -89.03 -17.6 29.03 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.35 0.87 . . . . 61.42 113.35 -170.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.47 136.3 45.89 Favored Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 121.909 -0.494 . . . . 74.1 111.144 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.3 157.34 62.25 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.017 1.811 . . . . 64.52 112.048 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.17 -32.53 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.112 0.482 . . . . 51.32 112.128 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.18 -55.93 28.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.169 -0.468 . . . . 72.31 111.83 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -30.17 64.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.392 -0.367 . . . . 73.32 111.312 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 65' ' ' VAL . 89.5 t80 -53.26 -45.37 68.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.921 0.391 . . . . 71.43 111.431 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.56 -40.93 84.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.23 -0.441 . . . . 71.23 111.469 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 47.3 mt-10 -68.41 -40.15 81.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.931 0.396 . . . . 72.11 111.202 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.25 -46.9 76.05 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.103 0.478 . . . . 51.55 111.144 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.46 -31.09 71.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.968 -0.56 . . . . 64.54 112.067 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.34 -20.69 40.11 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.323 0.49 . . . . 72.34 112.323 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -83.92 -39.9 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.374 0.509 . . . . 63.03 112.374 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -95.64 131.6 29.08 Favored Pre-proline 0 N--CA 1.472 0.632 0 N-CA-C 112.34 0.496 . . . . 74.04 112.34 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.43 90.16 0.22 Allowed 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.654 2.236 . . . . 71.3 112.562 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 85.6 mt -114.04 148.86 36.31 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.068 0.461 . . . . 63.32 111.851 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.1 p -84.68 159.77 20.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.369 -0.378 . . . . 64.2 110.212 171.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -49.81 -37.7 31.46 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.974 0.416 . . . . 71.42 111.746 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 m -63.34 -37.35 86.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.217 -0.447 . . . . 62.34 111.479 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.445 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.9 mt-30 -72.6 -44.6 61.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.563 -0.29 . . . . 74.42 111.669 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.27 -42.99 74.27 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.628 0.251 . . . . 51.21 111.033 176.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.71 -48.44 66.63 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.876 0.37 . . . . 52.44 111.594 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 27' ' ' ARG . 68.6 tp -61.58 -49.83 75.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.551 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -55.66 -40.78 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.238 0.542 . . . . 62.03 111.244 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -61.71 -45.49 93.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.056 -0.52 . . . . 73.42 111.34 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.47 -46.14 87.55 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.404 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.0 -44.09 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.307 -0.406 . . . . 62.11 111.527 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -54.89 -50.91 67.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.938 0.399 . . . . 72.22 111.006 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -62.08 -49.84 74.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.211 -0.449 . . . . 74.44 111.747 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.67 -53.2 59.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.025 0.44 . . . . 73.43 111.313 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.17 96.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.123 -0.489 . . . . 72.43 113.407 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 1.7 tpmt? . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 120.793 0.33 . . . . 75.12 111.616 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 111.987 0.366 . . . . 70.21 111.987 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -48.54 -38.69 21.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.51 0.559 . . . . 55.03 112.51 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -52.21 -36.01 50.96 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.924 0.713 . . . . 70.14 112.924 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -37.43 47.39 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.749 0.309 . . . . 74.11 111.439 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -50.94 69.21 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.065 0.46 . . . . 62.34 111.781 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.27 -23.14 61.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.495 0.554 . . . . 73.14 112.495 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.5 33.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.878 0.371 . . . . 54.42 111.983 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.546 ' HG3' HD22 ' A' ' 64' ' ' LEU . 94.7 mmm -108.4 9.84 27.59 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 111.889 0.329 . . . . 65.3 111.889 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.46 72.19 0.54 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.179 0.514 . . . . 73.45 112.359 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 105.95 45.68 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.528 -0.305 . . . . 63.02 110.494 174.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.13 20.61 0.64 Allowed 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.833 2.355 . . . . 53.23 114.273 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -146.67 139.5 14.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-O 120.88 0.371 . . . . 61.42 111.161 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -62.36 141.53 87.61 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.89 2.393 . . . . 73.3 113.756 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.421 ' HA ' HD12 ' A' ' 40' ' ' ILE . 58.6 p -53.86 -33.62 56.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.158 -0.474 . . . . 73.33 112.014 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.42 -48.45 62.67 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.876 0.37 . . . . 74.43 111.406 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.85 -45.73 91.5 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.937 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 37' ' ' THR . 68.6 mt -52.45 -36.24 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.143 -0.48 . . . . 71.14 112.269 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.63 -46.22 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.674 0.62 . . . . 65.34 112.674 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -78.29 -13.88 59.66 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.606 0.965 . . . . 71.43 113.606 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 43' ' ' LEU . 21.4 mt -65.48 145.63 99.04 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-O 121.055 0.455 . . . . 70.42 111.963 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.25 146.84 82.39 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.172 1.915 . . . . 72.34 111.089 168.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -49.19 -38.69 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 112.972 0.73 . . . . 63.1 112.972 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.12 -52.79 53.22 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.016 -0.428 . . . . 62.43 111.99 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.38 -23.85 67.59 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.752 0.31 . . . . 52.15 111.489 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -65.86 -50.61 63.92 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.891 0.377 . . . . 73.13 110.741 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.16 -36.69 82.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.768 0.318 . . . . 63.41 111.113 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.7 mm-40 -60.65 -46.97 88.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 74.01 110.849 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.5 tp -49.83 -52.75 30.02 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.571 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.79 -25.26 66.38 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.114 -0.493 . . . . 73.01 111.995 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.92 -13.83 43.64 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 111.914 0.339 . . . . 72.2 111.914 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 21.5 mtp180 -94.25 -48.16 6.3 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 111.901 0.334 . . . . 71.52 111.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -78.83 136.73 58.32 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.787 0.292 . . . . 40.23 111.787 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.89 47.61 2.39 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.019 2.48 . . . . 64.42 113.031 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -72.0 152.79 42.2 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.006 0.431 . . . . 64.24 111.638 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -81.37 159.64 24.31 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.361 -0.381 . . . . 64.44 110.97 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -49.24 -48.25 45.84 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.541 0.571 . . . . 74.44 112.541 -176.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -54.12 -33.59 58.17 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.761 0.315 . . . . 53.41 111.763 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.5 mt-30 -75.99 -46.16 30.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.377 -0.374 . . . . 73.22 111.685 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.52 -47.01 85.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.817 0.342 . . . . 71.31 110.954 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.91 -40.16 72.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.998 0.427 . . . . 71.42 111.31 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.2 tp -62.83 -56.55 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.255 177.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 61' ' ' GLN . 79.1 t -53.62 -44.31 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 120.919 0.39 . . . . 54.43 111.847 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -58.68 -35.73 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.361 -0.381 . . . . 71.34 111.576 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.3 -30.08 30.76 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.914 0.388 . . . . 60.13 111.345 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 64' ' ' LEU . 65.0 mt -62.35 -42.39 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 75.15 110.955 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -61.66 -34.96 76.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.945 0.402 . . . . 71.32 110.818 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -61.95 -59.91 4.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 70.41 111.441 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -66.92 -41.01 87.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.459 . . . . 75.22 111.272 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.39 97.48 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.829 -0.623 . . . . 51.52 113.209 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 CA--C 1.54 0.563 0 O-C-N 122.043 -0.68 . . . . 75.52 111.332 177.686 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 120.942 0.401 . . . . 62.14 111.573 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.77 -48.64 76.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.462 -0.336 . . . . 62.03 111.558 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -60.98 -28.58 69.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.854 0.359 . . . . 75.54 111.456 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.541 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 3.1 mmp_? -71.43 -40.23 70.54 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.07 0.462 . . . . 74.41 110.594 173.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.522 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -61.99 -55.04 33.36 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.867 -0.606 . . . . 62.53 111.615 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.15 -21.03 65.83 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.219 0.452 . . . . 63.33 112.219 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.43 97.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.169 0.509 . . . . 71.51 110.842 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.3 mmm -92.65 9.11 36.22 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.099 -0.501 . . . . 65.22 110.809 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 54.66 65.64 1.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.616 -0.72 . . . . 53.11 112.561 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.522 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.4 mm -94.63 113.42 61.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.519 -0.764 . . . . 73.43 110.562 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.06 30.19 0.54 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.814 2.343 . . . . 71.24 114.527 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -152.27 151.67 27.92 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 111.825 0.306 . . . . 72.21 111.825 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -66.84 142.8 64.34 Favored 'Trans proline' 0 N--CA 1.484 0.956 0 C-N-CA 123.127 2.552 . . . . 73.04 114.229 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 79.6 p -65.88 -43.08 89.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.068 -0.514 . . . . 72.42 112.17 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 -40.39 76.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.327 0.491 . . . . 71.15 112.327 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.0 ttmt -60.46 -46.57 89.57 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.225 -0.297 . . . . 73.32 111.167 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 65' ' ' VAL . 64.7 mt -49.39 -41.15 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.437 0.637 . . . . 53.34 111.336 177.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.491 HG21 ' HA3' ' A' ' 72' ' ' GLY . 58.7 t -67.98 -33.88 63.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.468 -0.787 . . . . 61.55 112.454 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -93.65 -5.84 47.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.805 0.668 . . . . 73.35 112.805 -175.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 82.6 mt -80.24 142.34 54.81 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 111.672 0.249 . . . . 71.42 111.672 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.05 154.73 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.355 2.036 . . . . 60.0 111.415 172.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.3 -34.41 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 112.327 0.492 . . . . 55.31 112.327 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.54 -62.46 1.71 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.105 0.478 . . . . 63.45 111.446 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.27 -24.93 67.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.369 -0.378 . . . . 72.42 111.912 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.47 -47.96 79.63 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.132 0.491 . . . . 64.33 110.393 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.8 -45.81 92.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.992 -0.549 . . . . 71.14 110.87 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 28.1 mm-40 -60.07 -40.2 88.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.304 -0.407 . . . . 71.25 111.326 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.18 -51.46 69.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.95 0.405 . . . . 74.22 111.254 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' ' 62' ' ' LEU . 93.8 mt -65.32 -28.81 69.57 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.42 34.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.936 0.347 . . . . 72.23 111.936 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -65.55 -54.12 32.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.804 0.335 . . . . 73.12 111.354 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.25 135.67 47.21 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 116.456 -0.338 . . . . 64.02 111.161 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.32 50.52 2.3 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.753 2.302 . . . . 63.12 113.392 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 62.7 mt -75.35 140.49 43.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.674 0.274 . . . . 61.3 111.19 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.0 p -78.0 157.26 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.24 -0.287 . . . . 71.04 110.306 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.23 -34.5 10.3 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.539 0.57 . . . . 54.3 112.539 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -60.72 -43.92 97.26 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.026 0.441 . . . . 54.4 111.394 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.5 mt-30 -67.17 -42.76 83.71 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.322 -0.399 . . . . 54.31 111.183 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.3 mp -59.09 -42.66 90.97 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.624 0.25 . . . . 75.32 110.884 175.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.36 65.23 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.89 0.376 . . . . 34.01 111.606 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 68' ' ' ILE . 64.7 tp -69.42 -51.7 33.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.463 -0.335 . . . . 72.32 111.142 175.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 40' ' ' ILE . 61.8 t -55.11 -44.67 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 120.935 0.398 . . . . 72.21 111.792 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 39.7 mtp-105 -57.19 -42.15 80.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.129 0.49 . . . . 72.21 110.983 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.39 -41.46 89.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.974 -0.557 . . . . 75.23 110.855 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 37' ' ' THR . 81.7 mt -56.11 -43.63 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.917 0.389 . . . . 72.3 111.471 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 69' ' ' ARG . 5.9 tmm_? -58.45 -40.31 82.28 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.361 -0.381 . . . . 63.33 110.81 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -66.1 -41.94 89.92 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.784 0.326 . . . . 51.1 111.051 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -53.08 -51.21 62.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.861 0.465 . . . . 70.42 112.009 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.491 ' HA3' HG21 ' A' ' 41' ' ' VAL . . . -75.59 -44.49 20.77 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.126 -0.559 . . . . 63.14 113.541 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 N--CA 1.47 0.532 0 O-C-N 122.459 -0.436 . . . . 62.45 111.263 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 111.971 0.36 . . . . 73.05 111.971 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.07 -30.54 59.86 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.588 0.233 . . . . 60.44 111.57 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -58.86 -32.03 69.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.836 0.309 . . . . 71.02 111.836 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.511 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.2 mpt_? -74.33 -40.74 62.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.978 0.418 . . . . 71.31 110.398 174.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.12 82.32 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.97 -0.559 . . . . 54.12 111.628 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.13 -23.45 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.133 0.42 . . . . 74.13 112.133 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.7 88.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.424 . . . . 64.22 110.841 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.411 ' HG3' HD22 ' A' ' 64' ' ' LEU . 94.4 mmm -92.66 -2.98 55.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.252 -0.431 . . . . 75.55 111.403 175.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 61.73 82.04 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.605 0.717 . . . . 70.01 112.414 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.457 HG22 ' H ' ' A' ' 35' ' ' PHE . 48.5 mm -102.05 128.77 27.81 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 115.296 -0.866 . . . . 74.4 110.789 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -83.49 20.67 1.14 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.918 2.412 . . . . 75.5 114.714 -175.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' H ' HG22 ' A' ' 33' ' ' ILE . 34.5 p90 -151.52 152.3 30.37 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 122.128 -0.357 . . . . 71.44 111.564 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.16 155.13 42.16 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.944 2.43 . . . . 63.55 113.944 -174.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' HD12 ' A' ' 40' ' ' ILE . 68.2 p -64.95 -34.56 78.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.687 -0.688 . . . . 73.04 111.87 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -55.27 -45.56 76.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.96 0.41 . . . . 74.35 111.376 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.84 -39.99 87.01 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.169 -0.469 . . . . 70.52 110.995 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.6 mt -59.37 -31.42 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.121 0.486 . . . . 74.41 111.62 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.45 -52.65 11.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 112.64 0.607 . . . . 75.51 112.64 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.3 -22.47 61.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.366 0.876 . . . . 74.41 113.366 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.46 139.5 86.77 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 122.029 -0.42 . . . . 63.41 111.272 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.72 160.58 47.56 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.0 1.8 . . . . 71.43 112.08 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.3 p -47.68 -37.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.515 0.561 . . . . 74.34 112.515 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.9 -62.25 2.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.806 0.336 . . . . 75.44 111.447 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 -25.9 64.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.344 -0.389 . . . . 62.15 111.737 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -67.75 -50.36 57.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.916 0.388 . . . . 74.42 110.876 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.05 -38.93 87.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.276 0.56 . . . . 55.11 110.753 176.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.41 -33.92 75.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.071 -0.513 . . . . 71.24 111.078 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.59 -45.56 77.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.496 0.665 . . . . 75.42 110.807 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.89 -27.16 68.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.364 -0.835 . . . . 74.4 111.875 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.52 21.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.319 0.489 . . . . 74.41 112.319 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -80.53 -42.27 22.74 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.115 0.413 . . . . 75.41 112.115 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -95.23 128.45 38.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 122.348 -0.22 . . . . 75.42 111.354 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.4 105.79 0.37 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.634 2.223 . . . . 75.21 112.845 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 88.7 mt -133.36 150.37 51.83 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.057 0.456 . . . . 74.43 111.542 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -82.54 157.4 23.54 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 73.42 110.382 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.63 -39.99 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.214 0.45 . . . . 73.32 112.214 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -61.6 -36.53 80.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.804 0.335 . . . . 75.42 111.501 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.9 mt-30 -70.93 -43.04 69.05 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.502 -0.317 . . . . 74.23 111.352 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.85 -47.49 82.54 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.118 0.485 . . . . 72.12 110.651 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.86 78.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.025 -0.534 . . . . 70.31 111.629 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 27' ' ' ARG . 59.3 tp -62.89 -50.52 70.58 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.431 176.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 61' ' ' GLN . 92.9 t -52.85 -40.25 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.149 0.5 . . . . 72.21 111.409 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -61.85 -45.94 91.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.04 -0.527 . . . . 74.31 111.285 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.65 -40.95 84.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.031 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.79 -38.2 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.83 -0.623 . . . . 61.14 111.508 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -68.52 -40.13 80.9 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.107 -0.371 . . . . 74.11 111.307 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.585 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 1.2 tpm_? -58.65 -36.86 74.81 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.179 0.514 . . . . 74.03 110.554 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -68.75 -62.1 1.53 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.991 -0.55 . . . . 75.14 111.826 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.05 96.22 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 116.102 -0.499 . . . . 73.31 114.215 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 tptp . . . . . 0 CA--C 1.537 0.458 0 O-C-N 122.318 -0.519 . . . . 74.44 111.137 -178.05 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.044 0.45 . . . . 73.14 111.809 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.91 88.46 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.183 0.833 . . . . 64.23 115.183 -171.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.96 62.87 5.12 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.399 -0.593 . . . . 63.1 109.399 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.84 114.12 3.45 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.892 -0.594 . . . . 73.31 112.159 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -68.35 105.9 2.31 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.083 0.468 . . . . 61.31 110.84 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -71.14 156.76 39.21 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.198 -0.455 . . . . 72.13 112.103 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -134.91 139.36 44.91 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.009 0.433 . . . . 72.31 111.2 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.14 130.71 23.98 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.399 -0.364 . . . . 54.43 111.265 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 m -88.58 149.46 23.57 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.807 0.337 . . . . 52.51 111.297 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.47 140.92 36.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.053 0.454 . . . . 65.43 111.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.9 mtm -126.45 166.95 16.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.246 -0.434 . . . . 72.21 111.086 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.77 103.79 1.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.395 0.517 . . . . 62.3 112.395 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -106.75 123.43 38.64 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-N 116.367 -0.379 . . . . 51.01 110.815 178.163 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.51 113.41 1.99 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.674 2.249 . . . . 74.25 113.011 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 p -81.04 81.47 7.27 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.341 0.591 . . . . 52.14 111.085 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.98 102.28 4.76 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.066 -0.515 . . . . 52.02 111.981 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -119.41 166.85 12.55 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.044 0.45 . . . . 74.12 111.403 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.92 71.81 0.3 Allowed Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.382 -0.437 . . . . 52.4 112.134 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -107.39 157.42 17.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.18 0.514 . . . . 74.42 112.202 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.3 -16.42 24.73 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.117 -0.492 . . . . 43.22 111.289 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.76 7.44 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 116.297 -0.41 . . . . 63.14 113.455 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.539 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 29.4 t -78.46 147.0 34.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.919 0.39 . . . . 23.31 111.652 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 23' ' ' ARG . 31.8 ttp180 -52.64 -57.58 9.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.923 -0.58 . . . . 74.0 112.265 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.19 -25.74 67.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.894 -0.594 . . . . 72.3 111.97 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 41.4 mm-40 -58.01 -45.32 87.07 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.038 0.447 . . . . 73.02 110.968 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -66.91 -34.41 77.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.417 -0.356 . . . . 64.14 111.352 177.406 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.21 -50.02 75.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.396 0.617 . . . . 52.23 110.661 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -53.41 58.68 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 74.43 112.431 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.8 -24.17 64.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.549 0.574 . . . . 71.34 112.549 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -49.9 14.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.208 0.527 . . . . 42.14 111.252 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.549 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.9 mmm -83.05 0.89 42.81 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.307 -0.406 . . . . 74.43 111.317 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 62.68 62.92 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.626 0.727 . . . . 73.03 112.314 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 35' ' ' PHE . 46.4 mm -95.3 125.03 51.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.619 -0.718 . . . . 73.35 110.613 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 1.1 Cg_endo -83.09 16.57 1.83 Allowed 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 122.872 2.382 . . . . 64.21 114.604 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' H ' HG22 ' A' ' 33' ' ' ILE . 31.4 p90 -146.7 148.22 32.68 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 122.174 -0.328 . . . . 63.41 111.544 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.31 145.61 88.72 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.107 2.538 . . . . 74.55 114.364 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.702 -0.681 . . . . 43.53 112.496 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.68 -44.52 85.84 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.994 0.426 . . . . 75.2 111.461 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.5 -41.35 72.96 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.054 0.454 . . . . 73.22 111.015 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 56.3 mt -57.22 -35.45 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.381 0.61 . . . . 73.1 111.734 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.27 -45.25 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.196 0.522 . . . . 64.34 112.26 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -79.3 -25.71 42.36 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.313 0.857 . . . . 65.12 113.313 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 51' ' ' LEU . 51.2 mt -71.82 145.79 89.84 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 111.985 0.365 . . . . 74.24 111.985 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.06 167.28 27.58 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.769 2.313 . . . . 73.13 112.286 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.39 -40.16 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 112.172 0.434 . . . . 71.42 112.172 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.59 -62.0 1.98 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.1 0.476 . . . . 70.41 111.549 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.08 -36.68 84.4 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.948 -0.569 . . . . 61.1 110.767 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.12 -49.94 74.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.846 0.458 . . . . 73.35 111.922 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.06 -48.85 75.28 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.053 0.454 . . . . 75.04 111.422 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.4 mt-10 -63.56 -39.01 93.3 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.328 -0.396 . . . . 62.15 111.358 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 43' ' ' LEU . 61.8 tp -54.69 -42.96 72.05 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 63.42 110.726 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 HD21 HG11 ' A' ' 65' ' ' VAL . 63.3 mt -64.08 -54.62 31.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.445 0.64 . . . . 74.23 111.191 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.92 67.8 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.173 0.805 . . . . 54.12 113.173 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 81.5 mtp180 -76.91 -30.87 56.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.241 0.46 . . . . 74.13 112.241 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -101.23 137.88 19.8 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.067 0.395 . . . . 73.03 112.067 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.62 83.85 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.467 2.111 . . . . 61.53 112.808 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD11 ' CE1' ' A' ' 35' ' ' PHE . 91.6 mt -111.32 143.09 42.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.013 -0.54 . . . . 71.03 111.795 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 41.5 p -80.79 172.96 13.1 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.176 -0.466 . . . . 70.24 110.78 173.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.2 -31.17 72.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.902 0.382 . . . . 71.14 110.918 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -73.33 -42.47 62.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.061 -0.518 . . . . 63.21 111.294 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 65' ' ' VAL . 53.7 mt-30 -61.24 -48.97 79.01 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.763 0.315 . . . . 71.05 110.915 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.55 -40.7 72.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.404 -0.362 . . . . 64.12 111.489 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.67 81.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.867 0.365 . . . . 72.44 111.129 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 31' ' ' MET . 49.9 tp -62.55 -48.13 80.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.346 -0.388 . . . . 61.25 111.452 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 61' ' ' GLN . 42.1 t -55.56 -42.71 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.078 0.466 . . . . 71.2 111.131 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -61.15 -34.96 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.118 -0.492 . . . . 73.14 111.839 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 28.3 t70 -76.27 -50.82 13.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.56 -0.291 . . . . 63.32 111.209 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -54.38 -43.51 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 120.694 0.283 . . . . 42.03 111.258 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.42 -45.2 35.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.287 0.565 . . . . 70.13 109.866 174.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -74.26 -39.35 63.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.758 -0.655 . . . . 73.43 111.779 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 22.4 mmt180 -58.84 -50.2 74.87 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.945 0.402 . . . . 73.04 111.545 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.55 85.75 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.709 -0.758 . . . . 42.1 112.331 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.38 -31.51 72.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.712 0.291 . . . . 73.5 111.381 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 66.4 t30 -58.68 -29.87 66.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.807 0.337 . . . . 64.02 111.386 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.72 -38.14 89.3 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.0 0.429 . . . . 74.31 110.368 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.07 -37.34 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 121.363 0.601 . . . . 73.11 110.235 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 74' ' ' ASN . . . -60.52 -28.27 68.27 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.013 -0.539 . . . . 72.31 111.353 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.09 64.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.953 0.406 . . . . 74.15 111.156 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -90.45 -33.33 16.03 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.14 0.495 . . . . 62.24 110.964 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -98.39 26.3 5.58 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.83 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -75.71 129.72 37.54 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.146 0.498 . . . . 70.43 111.75 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -73.13 109.55 6.74 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.885 -0.598 . . . . 73.31 110.999 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -82.8 133.51 35.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.988 0.423 . . . . 44.14 111.613 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -153.82 177.17 11.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 71.01 110.238 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.0 133.19 31.38 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.011 0.434 . . . . 73.21 111.08 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 tp -85.43 118.3 24.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.832 -0.432 . . . . 45.14 109.832 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.21 96.9 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.256 0.55 . . . . 71.24 111.584 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.8 m -91.65 133.75 35.3 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.736 -0.666 . . . . 62.03 111.455 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -88.37 111.32 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 120.966 0.412 . . . . 55.2 111.1 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.28 157.22 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.923 0.392 . . . . 71.31 111.401 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 . . . . . 0 C--O 1.25 1.123 0 N-CA-C 111.951 0.352 . . . . 64.13 111.951 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.46 0.171 . . . . 63.21 111.19 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.05 -39.3 27.91 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.264 -0.493 . . . . 31.01 113.05 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -46.53 110.21 0.26 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.014 0.746 . . . . 72.12 113.014 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 67.72 11.79 8.54 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 112.737 0.643 . . . . 41.13 112.737 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.54 97.07 7.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.961 -0.462 . . . . 74.13 111.346 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -131.61 150.41 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.865 0.365 . . . . 60.44 111.39 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -90.97 179.42 5.76 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.392 0.615 . . . . 71.2 112.174 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -141.35 114.98 8.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.109 -0.496 . . . . 75.12 110.877 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -142.96 175.16 10.05 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.923 0.392 . . . . 61.34 111.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -158.28 148.82 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.286 -0.415 . . . . 64.22 111.225 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -106.86 136.42 46.73 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.88 0.372 . . . . 52.33 110.978 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.73 101.11 7.38 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.413 0.523 . . . . 70.32 112.413 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.6 125.02 91.46 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 112.31 0.485 . . . . 62.33 112.31 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -92.97 173.84 1.89 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.025 2.483 . . . . 65.21 112.664 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.1 p -126.48 128.88 47.63 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.836 0.351 . . . . 74.22 110.895 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.53 114.33 26.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.221 0.452 . . . . 74.31 112.221 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -133.63 98.74 4.28 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.855 0.359 . . . . 73.23 110.815 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.69 70.88 2.86 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.203 -0.522 . . . . 14.11 112.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -134.07 139.54 46.04 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.907 0.336 . . . . 54.13 111.907 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 179.16 142.22 0.12 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.793 0.437 . . . . 72.14 111.67 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.87 -67.36 0.76 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 121.321 -0.466 . . . . 63.0 113.229 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -111.69 170.44 8.13 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 122.473 -0.427 . . . . 65.11 111.591 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 36.6 ttm180 -57.09 -52.05 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.859 0.318 . . . . 63.13 111.859 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.649 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 14.7 m-20 -58.94 -27.91 65.76 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.219 0.452 . . . . 62.41 112.219 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.46 -26.08 64.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 120.821 0.343 . . . . 72.42 111.115 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 35.2 mmt180 -61.4 -42.15 98.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.789 0.328 . . . . 63.25 111.29 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.649 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 4.9 mpt_? -56.4 -42.51 78.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.308 -0.405 . . . . 73.12 111.474 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -58.04 8.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.306 -0.406 . . . . 73.35 111.976 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -65.33 -33.13 75.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.285 0.476 . . . . 73.53 112.285 -177.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -65.5 -46.79 78.31 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.902 0.382 . . . . 75.41 111.595 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.578 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.6 mmm -89.11 4.29 48.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.415 -0.357 . . . . 74.32 111.737 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.7 mmpt? 61.9 31.1 18.27 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.595 0.591 . . . . 72.34 112.595 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.414 HD13 HE21 ' A' ' 61' ' ' GLN . 50.3 mm -57.5 117.23 17.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 122.342 0.257 . . . . 75.53 111.229 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.66 13.03 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 122.976 2.451 . . . . 73.4 114.839 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE1' HD11 ' A' ' 57' ' ' LEU . 31.0 p90 -145.45 149.3 40.33 Favored Pre-proline 0 N--CA 1.473 0.715 0 O-C-N 122.157 -0.339 . . . . 73.21 111.507 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.0 155.43 42.92 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.838 2.358 . . . . 64.43 114.315 -172.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -66.78 -41.33 87.83 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.529 -0.759 . . . . 73.14 112.235 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -48.28 59.63 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.341 -0.391 . . . . 70.21 111.847 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.9 ttmm -54.31 -52.41 61.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.362 -0.381 . . . . 70.14 111.131 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.6 mt -51.57 -40.33 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.879 -0.601 . . . . 62.05 112.305 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.97 -45.17 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 112.389 0.515 . . . . 65.23 112.389 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.25 -19.33 56.71 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.913 0.709 . . . . 72.13 112.913 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.495 HD12 HD22 ' A' ' 51' ' ' LEU . 40.3 mt -72.16 131.13 85.5 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 120.943 0.401 . . . . 75.35 111.539 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 164.86 29.99 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.208 1.939 . . . . 50.23 111.648 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.6 -37.29 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.288 0.477 . . . . 74.44 112.288 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.32 -63.98 1.08 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.862 0.363 . . . . 63.14 111.609 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.61 -28.38 68.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.797 0.295 . . . . 40.25 111.797 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.96 -57.86 10.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.991 0.424 . . . . 62.31 111.514 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.63 -33.94 76.74 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.487 -0.324 . . . . 73.31 111.717 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -35.58 76.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.754 0.312 . . . . 71.44 111.502 174.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 43' ' ' LEU . 52.4 tp -58.67 -42.55 88.74 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 74.52 110.95 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.3 -20.24 65.95 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.918 -0.583 . . . . 74.35 111.877 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.13 -1.88 58.28 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.788 0.328 . . . . 63.02 111.874 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.65 -56.57 2.64 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.07 0.462 . . . . 74.33 111.756 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -94.44 146.28 31.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 116.07 -0.514 . . . . 64.03 111.825 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.61 109.29 2.6 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.567 2.178 . . . . 70.21 112.874 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' A' ' 35' ' ' PHE . 87.6 mt -129.9 145.0 51.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.903 0.383 . . . . 52.42 111.26 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -88.22 160.24 17.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.434 -0.348 . . . . 74.11 110.78 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.54 -34.04 10.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.237 0.458 . . . . 74.53 112.237 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -68.41 -41.29 80.63 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 60.21 111.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 65' ' ' VAL . 55.9 mt-30 -66.51 -42.9 86.61 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 111.804 0.298 . . . . 74.01 111.804 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.02 -38.76 76.8 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.341 . . . . 52.2 111.209 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.4 86.13 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.013 0.435 . . . . 32.44 110.951 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.578 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.4 tp -59.99 -43.64 95.04 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.048 -0.524 . . . . 71.0 111.924 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.8 t -55.15 -41.43 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 120.914 0.388 . . . . 63.13 111.181 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 66' ' ' ARG . 27.7 mtm-85 -69.69 -38.49 77.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.86 0.362 . . . . 70.24 111.153 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.0 -50.56 72.35 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.226 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.09 -46.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.296 0.57 . . . . 54.14 110.959 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.49 -36.72 62.01 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.756 -0.656 . . . . 75.15 111.475 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -71.31 -49.36 43.43 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.75 0.278 . . . . 74.55 111.75 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -58.92 -54.76 43.46 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.881 0.372 . . . . 73.34 111.784 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.94 -35.01 62.42 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.027 -0.606 . . . . 75.34 113.093 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -90.63 -21.5 21.66 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.724 0.297 . . . . 74.02 111.772 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -59.84 -36.79 77.55 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.081 0.467 . . . . 73.15 110.896 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -59.26 -47.22 86.16 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.761 -0.654 . . . . 71.54 110.721 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.85 -0.614 . . . . 70.52 111.223 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.39 99.43 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.386 -0.37 . . . . 72.54 111.851 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.11 -54.9 41.73 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.381 0.511 . . . . 62.04 112.381 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.499 ' HG3' ' ND2' ' A' ' 80' ' ' ASN . 10.6 pt20 -59.48 -26.17 65.03 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.436 0.532 . . . . 73.34 112.436 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.499 ' ND2' ' HG3' ' A' ' 79' ' ' GLN . 46.9 m-80 -103.86 1.13 31.08 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.243 0.46 . . . . 65.44 112.243 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -71.34 133.83 46.29 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.693 0.283 . . . . 74.24 111.483 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -162.55 143.22 9.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.968 0.413 . . . . 61.15 111.262 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -78.03 95.88 4.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.986 0.422 . . . . 75.01 111.909 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 4.5 mpt_? -80.47 58.48 3.18 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.388 0.613 . . . . 71.21 110.124 171.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp 56.24 40.17 30.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.512 -0.767 . . . . 70.12 112.548 -174.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.1 mp -74.41 73.2 1.88 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.073 0.463 . . . . 74.12 110.091 171.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.7 154.08 21.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.035 0.445 . . . . 70.22 111.263 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -74.22 92.78 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.298 0.571 . . . . 74.32 111.921 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.2 mm -89.47 -41.61 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.763 0.792 . . . . 61.01 109.635 172.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -77.78 88.31 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.56 -0.746 . . . . 72.24 110.365 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.965 -0.541 . . . . 65.51 111.993 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.531 0.205 . . . . 65.32 110.578 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.65 110.29 3.43 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.226 -0.511 . . . . 64.11 113.742 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -121.64 117.07 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.861 0.464 . . . . 71.32 111.134 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 66.03 2.43 2.25 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.861 0.689 . . . . 63.42 112.861 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.28 114.53 21.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.835 0.35 . . . . 73.34 111.274 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -153.08 167.84 27.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.967 0.413 . . . . 63.51 111.419 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -75.79 135.1 40.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.045 0.45 . . . . 64.42 111.872 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -141.14 134.43 29.6 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.042 -0.526 . . . . 65.52 111.211 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.4 m -150.51 178.29 9.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.001 0.429 . . . . 71.55 112.15 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -120.6 129.8 53.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.394 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.44 166.32 32.3 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.6 -0.273 . . . . 51.55 111.123 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.9 157.17 34.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.371 0.508 . . . . 54.21 112.371 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -91.77 142.93 27.13 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.241 -0.436 . . . . 65.44 111.487 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.22 109.03 2.62 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.571 2.181 . . . . 72.04 112.409 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.8 t -111.39 173.08 6.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.879 0.371 . . . . 73.21 111.482 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.34 176.84 9.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.949 0.404 . . . . 73.31 111.865 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -65.4 141.19 58.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.068 0.461 . . . . 75.1 112.131 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.48 81.4 0.31 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.856 -0.611 . . . . 51.22 112.394 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.63 -169.6 2.55 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.965 0.357 . . . . 72.15 111.965 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.56 168.69 20.63 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.151 0.426 . . . . 50.32 112.151 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.01 -100.11 0.15 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.274 -0.488 . . . . 73.04 112.599 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -78.23 134.26 37.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.345 -0.503 . . . . 72.44 110.63 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -58.99 -30.93 68.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.041 0.385 . . . . 71.25 112.041 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.492 ' HB2' HG21 ' A' ' 37' ' ' THR . 0.8 OUTLIER -64.84 -50.56 66.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.613 -0.267 . . . . 60.32 110.717 172.671 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -55.03 -39.15 68.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.849 0.357 . . . . 64.11 111.253 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -60.13 -40.14 88.75 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.78 0.324 . . . . 73.43 110.345 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -58.15 -46.73 85.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.224 0.535 . . . . 73.12 110.917 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.764 -0.653 . . . . 44.1 111.991 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.56 -27.34 65.05 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.193 0.442 . . . . 71.34 112.193 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.63 71.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.875 0.369 . . . . 51.32 111.789 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.566 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.8 mmm -99.59 6.27 45.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.454 -0.339 . . . . 70.24 111.508 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 56.64 74.53 0.4 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 73.11 112.435 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -103.81 118.15 58.02 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.773 -0.649 . . . . 64.21 110.634 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.45 24.96 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 122.784 2.323 . . . . 62.14 114.307 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.3 143.54 12.99 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.653 0.263 . . . . 74.34 111.364 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.68 155.98 61.84 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.902 2.401 . . . . 73.21 113.915 -175.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 24' ' ' ASP . 70.4 p -63.64 -41.44 98.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.718 -0.674 . . . . 73.25 112.366 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.02 -41.63 47.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.807 0.337 . . . . 63.14 111.537 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.81 -46.36 88.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.04 0.448 . . . . 64.51 110.696 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -53.41 -38.52 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.984 -0.553 . . . . 72.24 112.169 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 69' ' ' ARG . 41.4 t -87.66 -43.21 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 112.586 0.587 . . . . 63.03 112.586 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -86.89 21.0 2.39 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.418 0.896 . . . . 74.21 113.418 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 51' ' ' LEU . 58.5 mt -103.96 140.19 20.82 Favored Pre-proline 0 N--CA 1.471 0.62 0 O-C-N 122.244 -0.285 . . . . 75.41 111.078 170.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.87 154.39 70.09 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 121.87 1.713 . . . . 74.04 111.699 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -48.22 -39.67 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 113.222 0.823 . . . . 73.54 113.222 -174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -55.06 27.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.95 0.405 . . . . 65.41 111.604 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.9 -20.03 66.08 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.051 0.389 . . . . 72.14 112.051 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.99 -46.95 69.88 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.874 0.369 . . . . 73.44 110.403 173.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.71 -41.92 91.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.137 0.494 . . . . 42.54 110.437 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 20.4 mm-40 -55.51 -50.6 69.54 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.866 -0.606 . . . . 62.52 111.307 172.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD22 HD12 ' A' ' 43' ' ' LEU . 57.6 tp -48.83 -48.49 41.62 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.012 -0.54 . . . . 65.52 111.698 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.93 -42.17 97.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.0 0.428 . . . . 72.4 111.93 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.68 58.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.323 0.49 . . . . 74.34 112.323 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.5 mtt180 -76.62 -27.94 55.91 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.651 0.612 . . . . 62.54 112.651 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -109.44 139.33 21.02 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 122.291 -0.256 . . . . 65.5 111.496 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.25 104.99 0.95 Allowed 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.725 2.283 . . . . 61.3 112.848 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.24 141.82 50.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.91 0.386 . . . . 75.32 111.645 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 44.0 p -83.83 163.64 19.99 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.701 -0.227 . . . . 74.42 110.498 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.12 -47.72 12.16 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.064 0.459 . . . . 75.34 111.956 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 m -64.76 -33.44 75.99 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.177 -0.465 . . . . 73.51 112.05 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 65' ' ' VAL . 49.6 mt-30 -68.63 -42.02 78.64 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 122.402 -0.186 . . . . 75.43 111.267 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.21 -42.9 99.41 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.86 0.362 . . . . 61.51 110.87 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.71 85.19 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.015 0.436 . . . . 61.31 111.046 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' HG3' ' A' ' 31' ' ' MET . 55.8 tp -59.32 -50.59 73.42 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.329 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 61' ' ' GLN . 88.3 t -54.06 -42.37 54.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.898 0.38 . . . . 61.41 111.426 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -61.11 -42.59 98.81 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.375 -0.375 . . . . 62.22 111.538 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.82 -34.91 74.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.891 0.377 . . . . 70.44 111.04 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LEU . 68.5 mt -62.7 -43.7 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.674 0.273 . . . . 61.14 111.025 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HA ' HG22 ' A' ' 41' ' ' VAL . 13.3 ttm180 -63.51 -43.03 98.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.981 0.42 . . . . 72.01 110.855 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -56.93 -42.13 79.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.065 -0.516 . . . . 75.04 111.273 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 71' ' ' ARG . 10.6 mmt180 -73.26 -48.11 37.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.17 0.509 . . . . 75.32 111.551 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.43 -35.28 90.79 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 116.152 -0.477 . . . . 70.4 113.231 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -62.52 -35.61 79.97 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.693 0.282 . . . . 74.23 110.771 177.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -77.06 -31.99 56.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.914 0.388 . . . . 72.5 110.644 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -60.62 -63.85 1.16 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 73.5 111.164 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.99 -26.91 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.187 -0.461 . . . . 42.04 111.41 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.41 -25.89 38.48 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.881 0.326 . . . . 72.34 111.881 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.77 -30.26 31.95 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.199 0.444 . . . . 54.44 112.199 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.74 -30.36 65.52 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.989 0.423 . . . . 73.32 111.7 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -126.54 20.1 7.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.915 0.339 . . . . 74.41 111.915 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -73.13 124.51 25.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.979 0.418 . . . . 73.44 111.593 -176.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -65.52 144.42 57.02 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.892 -0.594 . . . . 73.51 111.887 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -71.54 108.22 4.82 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.084 0.772 . . . . 75.41 113.084 -172.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 68.82 10.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.554 0.692 . . . . 74.33 110.2 169.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -154.81 110.19 3.1 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.447 -0.797 . . . . 75.33 111.432 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' H ' HD23 ' A' ' 86' ' ' LEU . 2.1 pt? -92.86 170.68 9.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.783 0.325 . . . . 65.13 110.946 175.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.9 95.97 0.17 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.018 0.437 . . . . 62.13 111.053 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 p -75.96 92.1 3.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.429 0.633 . . . . 73.44 110.643 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 89' ' ' ILE . 20.7 pt -58.46 103.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.367 -0.833 . . . . 72.24 112.309 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.65 127.08 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.976 -0.556 . . . . 71.12 111.589 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.827 -0.606 . . . . 71.34 110.983 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.642 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 120.606 0.241 . . . . 72.43 110.735 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.5 63.56 0.48 Allowed Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.825 -0.702 . . . . 54.13 114.105 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -77.11 93.19 3.85 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.53 -0.544 . . . . 74.32 109.53 173.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -97.99 142.47 29.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.95 0.722 . . . . 54.22 112.95 -169.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -152.22 158.28 42.64 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.929 -0.578 . . . . 65.22 110.604 175.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -172.17 130.5 0.61 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.701 0.286 . . . . 61.11 110.72 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -84.07 134.63 34.6 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.931 0.715 . . . . 74.14 112.931 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -121.17 113.45 20.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.455 -0.793 . . . . 54.11 109.929 175.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 t -155.64 167.09 31.53 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.615 0.598 . . . . 71.13 112.615 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -143.14 166.87 23.48 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.855 -0.611 . . . . 75.41 110.996 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 95.6 mmm -86.34 152.33 22.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.131 0.491 . . . . 70.02 112.14 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.84 143.64 26.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.13 -0.486 . . . . 63.23 111.744 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -129.47 140.98 40.23 Favored Pre-proline 0 N--CA 1.474 0.748 0 CA-C-N 116.507 -0.315 . . . . 74.15 111.509 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.19 -179.98 5.95 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.84 2.36 . . . . 73.41 113.332 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.9 m -150.97 135.58 17.15 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.459 -0.337 . . . . 75.21 111.286 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.96 96.69 3.26 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.106 0.479 . . . . 54.21 111.982 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 5.6 tpm_? -101.76 88.71 3.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.104 0.478 . . . . 73.32 110.663 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.05 79.23 1.93 Allowed Glycine 0 CA--C 1.524 0.621 0 CA-C-N 116.175 -0.466 . . . . 72.23 113.735 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.26 102.37 10.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.883 0.373 . . . . 64.3 110.728 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.41 147.73 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.385 0.513 . . . . 52.3 112.385 -173.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.8 -36.09 1.45 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.908 -0.587 . . . . 45.5 113.185 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.9 p -98.77 167.4 10.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.205 0.526 . . . . 63.14 111.824 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -70.49 -34.69 72.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.045 -0.525 . . . . 75.44 111.171 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.8 -45.22 82.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.274 0.559 . . . . 71.44 110.538 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.11 -35.9 80.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.924 -0.58 . . . . 73.11 111.539 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 33.3 mmt180 -61.8 -39.69 92.59 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.683 0.278 . . . . 72.35 111.403 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.79 -44.13 86.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.17 0.509 . . . . 75.21 110.557 171.033 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -55.6 -57.85 10.24 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.768 -0.651 . . . . 73.13 112.29 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -63.4 -29.46 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.009 0.374 . . . . 63.32 112.009 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -68.7 -40.78 79.85 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.122 0.487 . . . . 75.53 111.316 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.576 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 96.2 mmm -86.78 -10.62 53.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.182 -0.463 . . . . 62.01 111.238 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 mttp 76.32 63.66 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.672 0.789 . . . . 54.13 112.078 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.504 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.2 mm -95.5 117.88 66.4 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 115.601 -0.727 . . . . 73.43 110.739 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.2 8.67 4.23 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.747 2.298 . . . . 65.15 114.82 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.466 ' H ' HG22 ' A' ' 33' ' ' ILE . 22.7 p90 -134.53 150.35 73.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 122.035 -0.416 . . . . 74.33 111.888 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.82 154.81 63.34 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.05 2.5 . . . . 75.03 114.419 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.56 ' HA ' HD12 ' A' ' 40' ' ' ILE . 66.3 p -67.7 -39.95 84.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.655 -0.702 . . . . 72.02 112.319 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.13 -50.84 63.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.923 0.392 . . . . 72.35 111.689 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -58.07 -44.57 87.58 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.396 -0.365 . . . . 70.42 111.139 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 37' ' ' THR . 82.9 mt -49.65 -48.9 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.186 0.517 . . . . 72.34 111.769 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 57.9 t -69.46 -39.76 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-N 116.088 -0.505 . . . . 42.12 111.91 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -76.48 -27.46 56.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.099 0.777 . . . . 74.32 113.099 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.525 HD12 HD22 ' A' ' 51' ' ' LEU . 66.9 mt -68.78 130.67 91.59 Favored Pre-proline 0 N--CA 1.473 0.68 0 N-CA-C 112.011 0.374 . . . . 51.43 112.011 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.45 -178.56 1.9 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.669 2.246 . . . . 65.32 112.953 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 46' ' ' ASP . 6.7 p -54.14 -57.13 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 113.882 1.067 . . . . 55.33 113.882 -171.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 45' ' ' VAL . 6.6 m-20 -65.14 -49.11 71.17 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.88 -0.512 . . . . 72.43 111.792 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.73 -35.04 75.35 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.912 0.386 . . . . 75.22 111.406 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 65' ' ' VAL . 88.9 t80 -61.46 -50.14 74.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.168 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.93 -40.32 88.5 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.953 0.406 . . . . 74.44 110.957 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 29.9 mm-40 -57.71 -49.0 77.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.288 -0.414 . . . . 75.32 111.193 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 43' ' ' LEU . 47.2 tp -51.38 -45.96 62.62 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.026 0.441 . . . . 74.03 111.173 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.91 -36.51 84.62 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.961 0.41 . . . . 72.11 111.845 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.38 -19.53 46.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.525 0.565 . . . . 41.23 112.525 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 68.6 mtt180 -94.34 3.42 55.23 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.692 0.627 . . . . 75.11 112.692 -175.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -132.33 148.72 70.84 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.894 0.378 . . . . 64.3 111.802 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.97 85.65 1.34 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.332 2.021 . . . . 62.44 112.3 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 35' ' ' PHE . 76.8 mt -117.07 131.31 56.95 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.061 -0.518 . . . . 74.14 111.543 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.9 p -68.62 155.74 39.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.956 0.407 . . . . 74.12 111.209 174.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -47.32 -44.32 23.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.832 0.679 . . . . 72.41 112.832 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -65.19 -34.42 78.32 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.015 0.436 . . . . 65.24 111.712 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.576 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 52.6 mt-30 -62.05 -44.99 95.51 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.469 -0.332 . . . . 75.14 111.395 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 mp -59.75 -44.48 93.79 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.852 0.358 . . . . 71.32 110.582 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.18 74.13 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.992 0.425 . . . . 74.43 111.736 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 27' ' ' ARG . 67.8 tp -66.07 -53.27 40.35 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.116 -0.493 . . . . 71.3 110.976 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG13 HD13 ' A' ' 40' ' ' ILE . 71.2 t -53.29 -37.95 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 116.209 -0.45 . . . . 62.14 111.985 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 26.7 mtp180 -63.81 -39.82 95.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.886 0.374 . . . . 75.13 111.368 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 30.9 t70 -67.68 -43.92 79.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.512 -0.313 . . . . 74.31 110.653 176.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.74 -42.66 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.032 0.444 . . . . 63.23 111.503 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 55.7 ttp180 -62.13 -50.2 72.82 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.444 -0.344 . . . . 72.0 111.537 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 29.8 ptt180 -69.67 -28.33 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 111.65 0.241 . . . . 71.2 111.65 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -68.93 -50.66 47.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.824 0.345 . . . . 71.02 111.103 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.89 95.71 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.965 -0.636 . . . . 43.01 112.698 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -65.15 -26.95 68.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.768 0.284 . . . . 71.31 111.768 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -53.21 -30.6 38.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.893 0.378 . . . . 73.33 111.355 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -58.55 -47.49 84.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.223 0.535 . . . . 65.4 110.493 175.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.47 -35.36 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 115.767 -0.652 . . . . 62.5 111.174 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.11 78.89 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -47.67 57.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.952 0.405 . . . . 74.12 111.845 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.45 -35.7 80.95 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.976 0.417 . . . . 74.33 111.495 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -93.29 18.61 9.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.074 0.398 . . . . 71.34 112.074 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -61.39 112.64 2.26 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.767 0.318 . . . . 72.53 110.699 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.24 102.48 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.051 0.453 . . . . 71.52 111.457 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -111.7 101.89 10.23 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.094 0.473 . . . . 74.41 110.925 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -161.27 122.0 2.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.024 -0.535 . . . . 63.33 110.636 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -77.11 81.21 3.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.274 0.559 . . . . 74.32 110.091 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.43 144.26 56.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.011 -0.541 . . . . 74.03 110.026 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -85.46 98.57 10.67 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.247 0.546 . . . . 74.42 111.555 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -76.94 90.48 3.54 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.921 -0.581 . . . . 71.34 110.969 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.8 125.47 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.223 -0.444 . . . . 74.34 111.494 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.55 128.03 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 120.821 0.344 . . . . 74.44 110.769 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 C--O 1.253 1.259 0 N-CA-C 112.131 0.419 . . . . 60.4 112.131 -178.835 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.587 0.232 . . . . 74.4 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.89 -47.45 3.32 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.245 -0.502 . . . . 43.11 113.409 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -54.5 117.61 3.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.065 0.459 . . . . 64.33 111.083 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.71 -26.23 61.46 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.738 1.384 . . . . 74.12 114.738 -164.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -139.45 11.0 2.52 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.531 0.938 . . . . 74.33 113.531 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 6' ' ' HIS . 52.0 t-80 48.43 30.34 2.34 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.282 0.845 . . . . 70.12 113.282 168.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -69.47 94.99 0.78 Allowed 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.588 -0.695 . . . . 74.34 112.383 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -141.36 150.75 42.83 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.392 -0.367 . . . . 55.54 110.407 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 p -62.72 91.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.376 0.608 . . . . 75.22 111.242 176.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -81.16 -29.03 34.79 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.791 -0.64 . . . . 63.23 110.921 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.664 ' N ' ' SD ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -112.38 165.15 12.46 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.741 -0.663 . . . . 72.31 112.136 -176.04 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.36 25.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 53.32 112.878 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt 68.52 132.19 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.925 0 N-CA-C 112.434 0.531 . . . . 74.54 112.434 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.43 86.22 1.59 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.565 2.177 . . . . 51.43 112.418 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.2 m -77.86 85.54 4.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.303 0.573 . . . . 72.41 110.555 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.34 112.06 23.87 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.229 -0.442 . . . . 72.54 111.841 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -108.94 114.92 29.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.448 -0.342 . . . . 74.32 110.656 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.62 -179.1 36.09 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 120.792 -0.718 . . . . 31.35 113.396 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -148.41 134.61 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.782 0.325 . . . . 64.01 111.3 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.56 154.87 25.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.048 0.388 . . . . 64.54 112.048 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.33 5.86 10.09 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.447 -0.406 . . . . 70.11 113.52 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -99.15 152.11 20.24 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 122.728 -0.278 . . . . 74.03 111.206 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.648 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -58.3 -63.49 1.25 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.345 0.593 . . . . 75.12 112.148 -171.123 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HA ' ' NH1' ' A' ' 27' ' ' ARG . 4.8 m-20 -58.86 -36.23 74.25 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.622 -0.717 . . . . 63.54 111.451 -174.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -70.22 -34.96 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.801 -0.636 . . . . 72.42 111.631 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.59 -25.02 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.055 0.391 . . . . 75.4 112.055 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 64' ' ' LEU . 67.2 mtt85 -58.74 -43.84 90.32 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.156 0.503 . . . . 74.44 110.934 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -61.94 -57.23 12.53 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.898 -0.592 . . . . 72.55 112.013 -177.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.2 pp -63.85 -28.47 69.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 111.96 0.356 . . . . 75.33 111.96 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -67.49 -48.67 66.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.764 0.316 . . . . 62.21 111.589 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.1 mmm -91.84 7.51 41.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.478 -0.328 . . . . 73.44 111.517 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.9 71.9 0.56 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.606 0.717 . . . . 70.41 112.477 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.0 mm -102.1 111.48 64.36 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.595 -0.729 . . . . 65.31 110.204 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.94 25.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 122.784 2.322 . . . . 60.21 115.092 -172.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 57' ' ' LEU . 33.8 p90 -146.41 147.92 32.52 Favored Pre-proline 0 N--CA 1.474 0.757 0 O-C-N 121.862 -0.524 . . . . 73.45 111.927 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.56 139.99 79.0 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 123.348 2.699 . . . . 75.54 114.62 -173.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 70.2 p -65.64 -40.53 92.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.711 -0.677 . . . . 65.33 112.618 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.71 -43.25 72.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.123 0.487 . . . . 71.15 111.718 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.7 -36.09 83.17 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.204 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.579 HD13 HG13 ' A' ' 65' ' ' VAL . 69.8 mt -55.78 -40.93 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.236 0.541 . . . . 73.54 111.414 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.432 HG21 ' HA3' ' A' ' 72' ' ' GLY . 62.9 t -74.63 -36.57 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.914 -0.585 . . . . 73.54 111.865 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -73.6 -40.36 63.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.391 0.515 . . . . 55.33 112.391 -176.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.87 136.17 94.4 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.237 0.458 . . . . 70.05 112.237 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 176.1 8.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.705 2.27 . . . . 71.13 112.645 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.53 -43.31 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 113.04 0.755 . . . . 62.22 113.04 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.92 -55.39 26.39 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.867 0.365 . . . . 73.04 111.528 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 -37.13 76.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.945 0.402 . . . . 73.45 111.427 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -61.29 -50.02 74.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.096 -0.502 . . . . 75.14 111.214 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.781 0.324 . . . . 75.13 111.287 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.8 mm-40 -55.19 -51.02 67.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.919 0.39 . . . . 74.52 110.674 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -50.59 -49.44 56.35 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.885 -0.598 . . . . 70.22 111.48 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.98 -31.7 72.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.387 0.514 . . . . 74.24 112.387 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.53 -21.91 35.22 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.227 0.455 . . . . 64.43 112.227 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 85.6 mtt180 -90.39 -16.83 28.35 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.513 0.56 . . . . 62.13 112.513 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -106.03 145.25 30.57 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-O 121.066 0.46 . . . . 75.32 112.119 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.85 43.65 1.41 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.048 2.499 . . . . 74.45 113.894 -174.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 72.7 mt -82.14 145.77 29.94 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.946 0.403 . . . . 74.22 111.686 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 p -85.39 164.26 18.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.604 -0.271 . . . . 64.33 110.959 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -47.69 -36.29 10.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.863 0.69 . . . . 73.45 112.863 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -67.72 -40.62 84.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.944 0.402 . . . . 62.34 111.345 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.567 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 49.6 mt-30 -66.48 -43.58 85.06 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.339 -0.391 . . . . 72.22 111.776 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.14 -40.21 88.99 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.957 0.408 . . . . 73.51 111.361 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.91 86.61 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.905 0.383 . . . . 70.44 111.235 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 27' ' ' ARG . 37.6 tp -61.47 -53.01 62.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.23 -0.441 . . . . 51.4 111.267 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 40' ' ' ILE . 64.5 t -53.54 -39.98 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.037 -0.529 . . . . 60.01 111.716 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 66' ' ' ARG . 42.8 mtm180 -62.02 -35.68 79.28 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.33 0.492 . . . . 74.3 112.33 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 29.6 t70 -73.76 -40.34 63.56 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.166 -0.334 . . . . 61.51 110.846 176.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.95 -40.77 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.911 0.386 . . . . 52.54 110.953 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -53.88 -50.49 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.269 0.557 . . . . 70.51 110.516 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.21 -45.68 87.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.676 -0.693 . . . . 74.35 111.763 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 16.9 mmm180 -51.29 -57.22 9.44 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.527 0.565 . . . . 75.15 112.527 -176.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' HA3' HG21 ' A' ' 41' ' ' VAL . . . -74.23 -36.66 50.17 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.879 -0.677 . . . . 72.3 113.564 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -71.71 -43.02 66.62 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.468 -0.431 . . . . 72.51 111.943 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -57.58 -33.52 68.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.045 0.45 . . . . 71.11 111.143 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.63 -53.18 41.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.922 -0.581 . . . . 74.24 111.59 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 ' ND2' ' A' ' 80' ' ' ASN . 12.1 p -81.86 -27.01 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-O 121.062 0.458 . . . . 61.21 111.414 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.26 72.37 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.881 0.372 . . . . 71.11 111.601 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.77 78.68 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.998 0.37 . . . . 45.22 111.998 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -73.38 -29.91 62.94 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.012 0.434 . . . . 70.11 111.858 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.493 ' ND2' HG22 ' A' ' 76' ' ' VAL . 82.8 m-20 -89.72 23.97 2.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.755 0.312 . . . . 74.21 111.585 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.0 131.12 43.88 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.279 0.562 . . . . 75.4 112.113 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.67 156.83 3.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.509 -0.769 . . . . 75.12 111.678 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -67.75 111.51 4.31 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.297 0.57 . . . . 64.33 111.944 -179.171 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -76.07 129.33 36.66 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.763 -0.653 . . . . 72.44 110.872 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 85' ' ' LYS . 8.6 mtpm? -107.84 118.64 37.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.091 0.472 . . . . 63.33 110.688 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 86' ' ' LEU . 6.9 mp -76.64 6.39 6.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.545 0.572 . . . . 72.35 112.545 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -66.95 92.12 0.22 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.173 0.511 . . . . 74.12 110.975 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -82.53 165.41 20.16 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.889 -0.596 . . . . 74.51 111.104 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 111.76 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.712 0.291 . . . . 75.03 110.885 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.4 m -51.4 136.7 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 121.26 0.552 . . . . 73.12 112.371 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.769 -0.634 . . . . 62.45 111.575 -177.235 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.579 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.563 0.22 . . . . 74.42 111.36 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.11 82.74 0.2 Allowed Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.05 -0.595 . . . . 60.41 113.276 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.5 p-80 -75.12 101.56 4.61 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.461 0.541 . . . . 73.21 112.461 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -77.36 104.72 8.04 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.849 0.356 . . . . 73.31 110.565 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -120.15 108.85 14.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.313 -0.403 . . . . 73.3 110.905 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -136.97 153.19 50.76 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.123 0.416 . . . . 52.4 112.123 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -161.66 136.66 7.32 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.364 -0.38 . . . . 62.02 110.96 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.37 102.83 6.59 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.854 0.359 . . . . 75.03 111.368 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -83.38 159.36 21.84 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.31 -0.405 . . . . 61.33 110.809 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -124.3 103.2 8.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.132 0.491 . . . . 74.41 111.367 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt -134.36 158.54 43.57 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.956 -0.565 . . . . 72.33 110.909 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 69.24 83.6 0.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.484 0.659 . . . . 74.15 111.798 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.14 141.73 23.18 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.825 -0.625 . . . . 71.35 111.274 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.07 104.21 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.539 2.159 . . . . 73.34 112.482 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.8 m -99.65 108.86 21.33 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.239 -0.437 . . . . 73.04 111.263 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.11 121.92 20.99 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.433 -0.348 . . . . 54.44 111.676 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 55.0 ttt180 -100.1 160.4 14.35 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.909 0.385 . . . . 74.22 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' N ' ' HG2' ' A' ' 17' ' ' ARG . . . -60.62 164.82 15.29 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.394 -0.431 . . . . 74.32 113.38 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -83.05 116.91 22.5 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.914 0.388 . . . . 73.41 111.668 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB1' ' HG3' ' A' ' 25' ' ' GLU . . . -139.41 108.44 6.03 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.829 0.347 . . . . 51.34 111.057 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.43 33.49 6.43 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.308 -0.472 . . . . 52.15 113.288 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.6 m -83.04 146.26 28.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.901 0.381 . . . . 64.2 111.856 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -46.83 -52.35 14.47 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.957 -0.565 . . . . 75.22 112.23 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.99 -42.86 95.13 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.047 0.451 . . . . 72.22 111.593 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.473 ' HG3' ' HB1' ' A' ' 20' ' ' ALA . 74.9 mm-40 -57.83 -36.72 72.67 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.141 0.423 . . . . 75.34 112.141 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -59.89 -29.1 68.11 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.048 0.452 . . . . 75.01 111.087 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -78.79 -42.21 28.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.285 0.564 . . . . 65.44 110.518 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -56.3 -55.14 37.0 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.707 -0.679 . . . . 63.14 111.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.83 -23.48 67.25 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.955 0.354 . . . . 71.54 111.955 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.54 -49.31 42.0 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.9 0.381 . . . . 73.15 111.444 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.0 mmm -85.73 6.81 26.12 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.422 -0.353 . . . . 75.31 111.806 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt 63.84 72.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 73.24 112.024 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.2 mm -108.39 116.17 56.87 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 116.456 -0.338 . . . . 63.34 110.628 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -24.36 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.799 2.333 . . . . 64.24 114.097 -176.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -102.86 141.02 21.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.859 0.362 . . . . 74.2 111.904 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HB3' HH21 ' A' ' 17' ' ' ARG . 38.6 Cg_endo -64.69 143.9 82.35 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.884 2.389 . . . . 63.31 114.033 -175.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 40' ' ' ILE . 73.2 p -58.22 -40.07 80.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.025 -0.534 . . . . 64.51 111.751 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.59 -47.61 66.8 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.398 -0.365 . . . . 72.23 111.392 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.9 ttmt -60.33 -43.63 96.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.688 0.28 . . . . 73.53 110.913 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 37' ' ' THR . 63.5 mt -52.1 -37.34 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.266 0.555 . . . . 73.15 111.452 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.8 t -80.84 -45.33 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.987 -0.551 . . . . 54.31 112.212 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.45 -6.26 42.39 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.562 0.578 . . . . 63.15 112.562 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 75.3 mt -83.92 143.49 43.23 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.092 -0.38 . . . . 74.32 111.026 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.73 167.7 25.81 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.287 1.991 . . . . 62.51 112.176 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.98 -41.57 59.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 112.668 0.618 . . . . 74.22 112.668 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.82 -60.93 2.38 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.85 0.357 . . . . 64.42 111.216 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.63 -27.72 41.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.286 0.476 . . . . 74.21 112.286 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.28 -53.37 58.49 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.006 0.431 . . . . 71.52 111.127 173.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -63.66 -31.19 72.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.046 0.45 . . . . 73.42 111.025 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 25.3 mm-40 -62.75 -49.75 73.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.854 0.359 . . . . 73.42 111.145 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.2 tp -54.39 -47.8 72.3 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 HG11 ' A' ' 65' ' ' VAL . 92.0 mt -63.32 -33.9 76.52 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 72.53 112.158 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.11 -33.97 56.8 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.971 0.415 . . . . 43.54 111.708 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 95.9 mtt180 -78.93 -31.47 45.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.878 0.371 . . . . 75.22 111.198 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -106.09 101.07 32.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.581 -0.281 . . . . 61.15 110.75 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -66.39 81.57 0.3 Allowed 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.755 2.303 . . . . 74.11 113.424 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 87.1 mt -91.55 162.55 14.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.148 -0.478 . . . . 63.43 111.03 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.482 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 30.5 p -71.84 147.68 46.93 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.209 -0.307 . . . . 72.31 110.541 176.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.77 -22.79 3.88 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.853 0.359 . . . . 54.42 111.689 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.8 m -75.45 -42.62 52.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.298 -0.41 . . . . 74.13 111.216 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HG3' ' OG1' ' A' ' 58' ' ' THR . 56.9 mt-30 -61.81 -46.39 89.73 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 122.292 -0.255 . . . . 72.11 111.232 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.486 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.2 mp -58.0 -32.66 68.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.67 0.271 . . . . 73.24 111.386 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.99 90.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.131 0.491 . . . . 55.12 111.292 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.41 -49.18 61.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 72.03 111.128 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG11 HD21 ' A' ' 52' ' ' LEU . 59.8 t -54.93 -43.38 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 71.54 111.291 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -65.8 -30.03 70.6 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.502 -0.317 . . . . 74.35 111.454 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.96 -51.96 16.35 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.695 0.283 . . . . 73.42 111.026 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.499 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 71.5 mt -55.71 -45.53 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.03 0.443 . . . . 63.54 111.039 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -49.84 -48.06 51.22 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.881 -0.599 . . . . 71.43 111.232 174.402 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.96 -40.24 83.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.822 0.344 . . . . 75.32 110.504 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' HD3' ' HA ' ' A' ' 68' ' ' ILE . 32.4 mtp85 -57.88 -58.0 10.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.274 0.559 . . . . 74.32 111.734 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 75' ' ' LYS . . . -66.39 -36.57 91.77 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.948 -0.569 . . . . 75.13 113.077 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -64.62 -33.45 75.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 122.369 -0.489 . . . . 72.4 110.891 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -72.24 -35.36 68.8 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.164 0.507 . . . . 61.23 110.829 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 53.4 tttm -56.69 -41.16 76.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.832 -0.622 . . . . 74.31 111.664 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.78 -39.05 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 116.604 -0.271 . . . . 74.1 111.63 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.48 -24.55 66.66 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.923 0.392 . . . . 51.02 111.917 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.0 -22.73 61.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.31 -0.404 . . . . 71.35 111.968 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -82.5 -8.79 59.61 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.811 0.3 . . . . 64.12 111.811 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -145.97 27.76 1.17 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.438 0.533 . . . . 65.32 112.438 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -73.8 129.61 38.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.127 0.489 . . . . 71.32 111.808 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -61.05 107.5 0.74 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.967 -0.56 . . . . 72.42 110.325 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -59.98 135.77 57.81 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.151 0.797 . . . . 65.42 113.151 -168.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -84.05 109.82 17.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.997 0.427 . . . . 72.13 111.331 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.617 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 6.2 ttpm? -69.04 125.22 25.97 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.325 -0.398 . . . . 75.11 111.794 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.5 tp -88.5 89.5 8.02 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.382 0.61 . . . . 72.41 110.194 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.617 ' HB2' ' HE2' ' A' ' 85' ' ' LYS . 43.6 tt0 -96.8 94.9 7.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.928 -0.578 . . . . 74.21 111.512 -176.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.2 m -87.37 89.72 8.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.139 0.495 . . . . 75.34 110.965 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.6 mm -128.58 109.65 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.165 -0.47 . . . . 43.04 111.66 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -157.2 138.2 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.055 0.455 . . . . 74.13 111.455 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 C--O 1.254 1.327 0 CA-C-O 118.805 -0.617 . . . . 72.32 112.215 -179.231 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttm . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.765 0.317 . . . . 71.33 111.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.63 -130.01 10.09 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.162 -0.542 . . . . 73.51 114.005 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -103.23 132.09 49.76 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.221 0.452 . . . . 71.43 112.221 -173.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -105.87 172.28 6.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.939 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -115.81 110.98 19.82 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.082 0.468 . . . . 62.23 111.677 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -75.84 161.65 28.81 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.162 0.506 . . . . 70.51 111.854 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -127.8 130.11 48.12 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.198 -0.456 . . . . 74.23 112.057 -171.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -107.5 148.24 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.047 0.388 . . . . 75.43 112.047 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -169.08 105.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.937 0.398 . . . . 74.51 111.64 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -96.96 153.81 17.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.884 0.373 . . . . 73.55 111.132 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 mmt -73.63 98.32 2.83 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.057 0.456 . . . . 64.51 111.065 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.05 111.65 7.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.905 -0.589 . . . . 73.15 111.728 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.844 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 10.0 mmpt? 62.36 79.92 0.26 Allowed Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 115.845 -0.616 . . . . 73.5 112.038 -175.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.25 56.08 4.82 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.919 2.413 . . . . 63.52 112.104 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.0 m -61.09 97.33 0.06 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.006 0.431 . . . . 75.3 111.23 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.22 150.78 33.41 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.757 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -94.13 119.16 32.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.837 0.351 . . . . 71.15 111.101 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.43 71.34 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.202 -0.523 . . . . 54.3 113.392 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.55 101.06 2.9 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 122.456 -0.438 . . . . 64.04 111.463 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 98.7 4.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.193 0.52 . . . . 54.12 112.057 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.01 -81.2 0.96 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.149 -0.548 . . . . 62.35 112.99 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -67.03 169.34 8.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.348 0.499 . . . . 62.43 112.348 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -63.51 -44.2 94.98 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.087 0.47 . . . . 53.42 110.882 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.65 -24.8 64.18 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.879 -0.601 . . . . 63.03 112.383 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.63 -36.15 69.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.716 0.293 . . . . 75.04 110.992 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -63.84 -47.17 81.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.943 0.402 . . . . 74.31 110.255 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 64' ' ' LEU . 8.1 mtp85 -57.07 -39.91 75.87 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.999 -0.546 . . . . 74.41 111.278 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -51.84 62.19 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.182 -0.463 . . . . 72.31 112.125 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.45 -20.73 59.92 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 111.977 0.362 . . . . 75.41 111.977 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.06 71.01 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.845 0.355 . . . . 75.34 111.795 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.461 ' HG3' HD22 ' A' ' 64' ' ' LEU . 93.9 mmm -99.57 -0.66 40.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 71.32 111.729 177.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm 61.71 78.01 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.168 0.587 . . . . 71.42 112.272 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -92.3 118.02 67.92 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.019 -0.537 . . . . 62.52 110.419 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.56 28.51 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.946 2.43 . . . . 72.35 114.465 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 44.4 p90 -157.89 155.39 26.47 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 122.193 -0.317 . . . . 52.42 111.591 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 31.0 Cg_endo -61.9 136.66 62.87 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.018 2.479 . . . . 65.14 114.193 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 74.8 p -65.93 -38.39 88.53 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.884 -0.598 . . . . 74.45 112.499 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -54.8 -43.92 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.977 0.418 . . . . 63.43 111.138 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -55.65 -38.87 70.15 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.25 -0.432 . . . . 64.03 111.498 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 69' ' ' ARG . 74.6 mt -52.66 -43.32 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.269 0.557 . . . . 75.52 111.897 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 69' ' ' ARG . 26.7 t -89.42 -26.78 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.067 -0.515 . . . . 70.34 112.365 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -91.77 -13.92 30.73 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.775 1.028 . . . . 63.21 113.775 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.27 144.58 47.01 Favored Pre-proline 0 N--CA 1.473 0.712 0 O-C-N 121.774 -0.579 . . . . 54.3 111.596 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.31 167.49 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.481 2.121 . . . . 65.42 112.124 174.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.0 p -56.3 -41.34 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.822 0.675 . . . . 70.45 112.822 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.33 -57.73 6.86 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 111.943 0.349 . . . . 74.35 111.943 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.28 -34.38 57.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.001 0.429 . . . . 62.35 111.136 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.43 ' HE1' HG23 ' A' ' 40' ' ' ILE . 83.3 t80 -63.48 -46.34 86.64 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.131 -0.486 . . . . 74.24 111.124 175.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.18 -46.71 82.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.072 0.463 . . . . 73.45 111.157 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.0 -34.33 76.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.026 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -55.43 -50.01 70.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.843 0.354 . . . . 75.23 110.89 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.36 -36.78 74.0 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.335 0.588 . . . . 75.51 111.498 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.43 53.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.946 -0.57 . . . . 75.44 112.354 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.17 -3.46 58.82 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.98 0.733 . . . . 73.2 112.98 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 70.1 m-85 -125.6 149.11 64.05 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.306 0.484 . . . . 75.43 112.306 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 4.1 Cg_exo -75.87 42.49 0.96 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.507 2.805 . . . . 41.24 113.207 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.66 136.72 51.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.99 0.424 . . . . 73.25 111.85 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.425 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 28.1 p -72.03 157.96 36.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.393 -0.367 . . . . 73.34 110.035 172.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -49.26 -38.54 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.05 0.453 . . . . 64.3 111.384 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -65.69 -39.22 91.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.065 -0.516 . . . . 62.45 111.368 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 53.6 mt-30 -65.92 -42.11 90.55 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.924 0.342 . . . . 75.23 111.924 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.08 -40.98 77.97 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.97 0.414 . . . . 65.33 110.612 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.06 97.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 50.12 111.335 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 27' ' ' ARG . 61.9 tp -62.03 -50.36 72.35 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.489 -0.323 . . . . 71.43 111.281 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 61' ' ' GLN . 98.0 t -56.07 -45.89 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.172 0.511 . . . . 74.23 111.025 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -62.16 -37.05 83.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.519 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 21.9 t70 -67.79 -45.58 74.42 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.61 -0.268 . . . . 73.12 111.033 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 64' ' ' LEU . 73.8 mt -54.34 -48.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.103 0.478 . . . . 71.24 110.993 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' HA ' HG22 ' A' ' 41' ' ' VAL . 53.0 ttp180 -61.61 -40.81 96.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.272 0.558 . . . . 74.4 110.884 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -60.42 -44.67 95.52 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.628 -0.714 . . . . 73.12 111.247 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 29.4 mmt180 -65.01 -46.41 81.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.872 0.368 . . . . 63.23 110.819 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.6 -40.26 98.92 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.072 -0.513 . . . . 61.14 113.488 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.72 -15.1 43.31 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.417 0.525 . . . . 74.15 112.417 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.97 -32.24 69.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.065 0.46 . . . . 75.3 110.83 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -61.96 -39.09 90.95 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.092 0.472 . . . . 73.54 110.57 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.09 -42.42 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.339 -0.391 . . . . 50.42 110.535 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.95 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.236 -0.438 . . . . 51.42 111.501 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.06 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.008 0.432 . . . . 72.41 111.231 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.85 -36.74 78.52 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.403 -0.362 . . . . 71.22 111.956 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -105.0 29.79 6.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.299 0.571 . . . . 75.11 110.926 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.73 130.52 45.3 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.802 -0.636 . . . . 71.35 111.229 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 67.66 64.56 0.4 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.329 0.585 . . . . 74.31 111.454 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -61.55 167.64 3.32 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.428 -0.805 . . . . 64.24 111.144 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -66.08 106.41 1.61 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.465 0.65 . . . . 71.54 111.371 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -78.51 140.83 38.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.717 -0.674 . . . . 73.21 111.714 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -94.44 104.9 16.87 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.161 -0.472 . . . . 64.14 111.562 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -83.52 133.39 34.88 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.276 -0.42 . . . . 74.24 111.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -86.45 128.14 34.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.671 -0.241 . . . . 75.05 111.062 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.97 100.49 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.451 0.643 . . . . 75.41 111.155 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 91' ' ' GLN . 11.2 p -103.49 159.07 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.555 -0.748 . . . . 62.03 111.972 -174.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' N ' HG22 ' A' ' 90' ' ' VAL . 13.4 pt20 . . . . . 0 C--O 1.255 1.379 0 CA-C-N 116.235 -0.439 . . . . 75.15 111.809 175.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.766 0.317 . . . . 61.41 111.277 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.86 85.45 0.08 OUTLIER Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.623 -0.799 . . . . 62.32 113.299 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -79.23 120.7 24.09 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 122.453 -0.439 . . . . 55.12 110.279 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -155.35 149.93 26.25 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.798 0.295 . . . . 72.02 111.798 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -154.21 123.81 6.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.02 0.438 . . . . 74.02 111.759 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -147.98 98.85 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.183 -0.462 . . . . 62.42 111.13 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -90.33 -22.75 21.38 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.715 0.265 . . . . 54.5 111.715 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -74.44 97.8 3.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.987 0.422 . . . . 63.14 110.244 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -72.81 159.27 34.03 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.53 0.681 . . . . 73.54 112.49 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -86.82 110.61 20.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.741 -0.663 . . . . 72.01 111.136 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.5 ptp -54.24 -29.87 48.14 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.85 0.357 . . . . 64.22 111.87 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.06 135.68 55.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.313 -0.403 . . . . 73.34 110.813 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 101.1 40.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 120.775 0.321 . . . . 74.34 111.326 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -91.39 175.51 2.29 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.114 2.543 . . . . 71.41 113.66 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -113.78 123.98 51.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.952 -0.567 . . . . 61.24 110.949 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.56 94.63 6.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.882 0.372 . . . . 63.21 111.85 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -86.49 60.86 6.48 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.176 0.513 . . . . 70.52 111.652 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.76 -56.65 1.5 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.883 . . . . 62.33 110.894 171.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 64.29 10.48 5.65 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.649 0.981 . . . . 71.5 113.649 166.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . . . -91.4 158.07 16.72 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.046 0.451 . . . . 64.14 111.341 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 54.77 1.97 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.725 -0.75 . . . . 73.33 113.492 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.572 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 31.4 m -115.02 151.02 34.95 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.086 0.469 . . . . 40.34 111.848 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 2.3 tpm_? -50.23 -40.61 48.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.345 0.593 . . . . 73.41 110.435 173.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -52.41 65.41 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.269 -0.878 . . . . 54.14 111.125 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.572 ' HG2' ' HB2' ' A' ' 22' ' ' SER . 40.5 mm-40 -52.21 -45.29 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.643 -0.708 . . . . 73.52 111.252 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' HD21 ' A' ' 29' ' ' LEU . 34.9 mmt180 -61.39 -36.33 79.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.98 -0.554 . . . . 73.35 111.561 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 23' ' ' ARG . 14.9 mmm180 -66.93 -42.79 84.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.11 0.481 . . . . 75.4 110.466 175.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -54.52 44.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.944 -0.571 . . . . 61.25 112.033 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD21 ' HD3' ' A' ' 26' ' ' ARG . 4.4 pp -68.58 -20.98 64.55 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.088 0.403 . . . . 61.21 112.088 -178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.85 98.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.124 0.488 . . . . 41.4 111.162 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mmm -100.37 -8.23 23.54 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.359 -0.382 . . . . 73.43 111.487 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 66.34 93.94 0.07 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.618 0.767 . . . . 74.22 112.467 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 51.4 mm -111.47 124.58 32.26 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.798 -0.637 . . . . 74.52 110.962 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 12.6 Cg_exo -70.39 -18.32 34.13 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.021 2.48 . . . . 63.12 114.851 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -116.69 149.33 43.73 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 112.423 0.527 . . . . 71.43 112.423 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.32 141.71 82.86 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.146 2.564 . . . . 44.41 114.097 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.448 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.4 p -61.07 -41.75 97.21 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.601 -0.727 . . . . 72.3 112.503 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -54.61 -48.86 71.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.363 -0.38 . . . . 75.03 111.894 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.06 -40.91 86.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.588 -0.278 . . . . 64.1 111.592 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.449 HD13 HG13 ' A' ' 65' ' ' VAL . 65.1 mt -52.68 -39.74 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.512 0.672 . . . . 52.52 111.228 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.79 -35.95 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.672 -0.694 . . . . 70.34 112.233 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -82.38 -29.56 30.79 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.959 0.726 . . . . 63.1 112.959 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.87 139.58 93.42 Favored Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 122.092 -0.38 . . . . 74.14 111.92 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.0 172.12 16.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.66 2.24 . . . . 75.13 111.968 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.89 -39.47 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 112.356 0.502 . . . . 70.33 112.356 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.06 -63.0 1.46 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.036 0.446 . . . . 73.43 111.598 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.64 -25.41 65.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.293 -0.412 . . . . 72.02 111.746 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.73 -50.68 68.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.022 0.439 . . . . 73.23 110.742 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -59.38 -45.15 92.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.155 -0.475 . . . . 61.33 110.903 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 58.6 mm-40 -57.62 -45.91 84.76 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.257 -0.429 . . . . 62.35 111.342 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 52.0 tp -58.37 -45.98 87.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.31 -0.405 . . . . 74.15 111.226 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.1 -30.6 71.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.424 -0.353 . . . . 64.01 111.543 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.47 60.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.883 0.373 . . . . 75.44 111.922 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 61.1 mtp180 -62.49 -49.24 76.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.833 0.679 . . . . 74.51 112.833 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 88.9 m-85 -102.71 143.96 27.66 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.253 0.464 . . . . 75.4 112.253 -172.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 7.4 Cg_exo -73.45 61.99 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.156 2.571 . . . . 52.4 112.932 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.32 137.35 35.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.94 0.4 . . . . 62.23 111.179 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 p -68.79 152.84 44.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.484 -0.326 . . . . 64.2 110.782 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -49.08 -39.59 28.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.636 0.606 . . . . 75.02 112.636 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -64.92 -32.53 74.29 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.056 0.455 . . . . 60.34 111.703 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' VAL . 56.8 mt-30 -69.06 -42.84 75.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.277 -0.265 . . . . 52.42 111.429 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.91 -40.64 85.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.965 0.412 . . . . 72.22 110.617 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.66 84.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.075 -0.511 . . . . 64.23 111.07 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.35 -46.56 88.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.362 -0.381 . . . . 64.31 111.281 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 61' ' ' GLN . 71.9 t -57.08 -41.55 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.976 0.417 . . . . 61.4 111.094 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 66' ' ' ARG . 60.9 mtt180 -64.27 -40.55 96.2 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.989 175.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 31.0 t70 -62.15 -44.74 95.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.975 176.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.04 -44.92 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.862 0.363 . . . . 60.31 111.175 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.416 ' HB2' HG22 ' A' ' 40' ' ' ILE . 49.8 ttt180 -59.01 -40.42 84.89 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.0 0.429 . . . . 74.33 110.528 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -62.88 -48.05 80.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.097 -0.501 . . . . 71.32 111.197 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 41.8 mtp85 -59.12 -39.52 82.55 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.115 0.413 . . . . 64.11 112.115 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.77 -49.03 15.0 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.085 -0.578 . . . . 75.24 112.774 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -61.38 -26.29 67.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.988 0.423 . . . . 70.32 111.346 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.31 -38.86 92.82 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.9 0.381 . . . . 73.12 110.388 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.83 -42.75 94.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.008 0.432 . . . . 72.15 110.654 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.58 -34.78 52.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.265 0.555 . . . . 64.44 110.784 175.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.27 61.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.25 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.65 81.11 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.192 0.442 . . . . 75.33 112.192 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -75.62 1.52 14.23 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 111.953 0.353 . . . . 61.03 111.953 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.18 16.71 9.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.051 0.453 . . . . 62.44 110.44 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -94.26 148.68 21.97 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.149 0.5 . . . . 74.21 112.09 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -74.56 123.71 25.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.034 -0.53 . . . . 71.54 111.744 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -92.74 139.55 30.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.87 0.366 . . . . 73.44 111.345 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -85.37 144.27 28.13 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.65 0.738 . . . . 75.02 112.984 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -83.91 127.99 34.23 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.423 -0.808 . . . . 75.44 110.309 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.46 85.9 0.11 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.434 0.635 . . . . 71.03 111.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.03 99.94 10.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.554 -0.748 . . . . 64.43 110.884 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.1 p -85.2 96.1 9.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.086 0.47 . . . . 71.52 111.42 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.9 mt -74.65 98.16 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.168 -0.469 . . . . 30.51 111.299 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.95 131.0 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.818 0.342 . . . . 71.3 111.099 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.512 -0.756 . . . . 63.11 110.486 178.254 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.499 0.19 . . . . 71.53 111.155 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.13 -68.77 0.36 Allowed Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.7 -0.762 . . . . 73.11 113.647 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -120.15 101.57 7.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.012 0.745 . . . . 73.04 113.012 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -111.4 133.71 53.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.016 -0.538 . . . . 62.2 109.732 171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -118.42 161.33 20.16 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.349 0.87 . . . . 74.22 113.349 -169.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -108.83 -80.3 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.536 -0.756 . . . . 74.52 109.669 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -116.48 103.12 10.11 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.966 0.413 . . . . 72.23 110.61 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -98.23 94.99 7.09 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.424 -0.353 . . . . 73.11 111.742 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.6 t -171.39 159.87 5.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.406 0.622 . . . . 71.24 112.096 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -154.46 21.15 0.48 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.726 -0.67 . . . . 74.42 110.832 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.4 tpp -84.82 96.4 9.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.061 -0.518 . . . . 74.11 110.787 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.66 131.06 20.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.92 0.39 . . . . 70.42 111.763 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -154.41 121.77 2.88 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.473 -0.33 . . . . 74.43 111.013 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.46 83.15 2.1 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.138 1.892 . . . . 62.45 112.228 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -75.11 76.88 2.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.525 0.678 . . . . 72.54 111.805 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.83 150.12 51.39 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.537 -0.756 . . . . 75.15 110.504 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -102.85 -26.18 13.22 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.081 0.4 . . . . 75.4 112.081 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.13 -50.0 4.1 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.171 -0.537 . . . . 73.05 113.227 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.46 142.78 31.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.763 0.316 . . . . 72.22 111.568 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 67.16 2.41 2.77 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.513 0.561 . . . . 73.12 112.513 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.5 167.49 33.93 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.127 -0.559 . . . . 71.23 113.019 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 96.7 p -79.05 -178.37 6.09 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.268 0.556 . . . . 52.11 111.678 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.653 ' NH2' ' HG3' ' A' ' 71' ' ' ARG . 21.3 ttp180 -56.54 -48.0 78.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.545 0.688 . . . . 50.23 110.672 173.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.91 -23.41 62.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.442 -0.799 . . . . 64.31 112.262 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.22 -43.46 74.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.686 0.279 . . . . 60.35 111.416 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.52 -47.08 87.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.173 0.511 . . . . 75.0 111.019 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.596 ' HB3' HD21 ' A' ' 64' ' ' LEU . 14.2 mmt180 -59.29 -38.9 81.34 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.828 -0.624 . . . . 73.43 111.433 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.43 -52.51 63.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.233 -0.439 . . . . 55.33 111.963 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.96 -21.48 60.01 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.847 0.314 . . . . 74.5 111.847 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.02 -47.95 40.52 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.13 0.49 . . . . 73.11 111.515 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.55 ' HG3' HD22 ' A' ' 64' ' ' LEU . 95.3 mmm -90.13 1.98 55.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.359 -0.382 . . . . 72.13 111.367 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt 53.65 74.2 0.33 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.615 0.721 . . . . 74.31 111.874 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mm -92.22 119.07 68.36 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 115.603 -0.726 . . . . 44.24 110.778 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' HD21 ' A' ' 57' ' ' LEU . 66.3 Cg_endo -72.07 16.33 0.36 Allowed 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 122.929 2.419 . . . . 72.1 114.775 -174.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' A' ' 57' ' ' LEU . 37.2 p90 -148.94 147.61 24.67 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 120.644 0.259 . . . . 73.25 111.158 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.85 149.17 59.5 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.852 2.368 . . . . 73.33 114.172 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.536 ' HA ' HD12 ' A' ' 40' ' ' ILE . 53.4 p -67.94 -34.21 76.15 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.106 -0.497 . . . . 65.41 111.491 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.07 -46.42 65.15 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.195 0.522 . . . . 71.52 110.682 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -60.58 -39.63 88.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.887 -0.597 . . . . 73.14 110.963 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 65' ' ' VAL . 69.9 mt -58.87 -28.28 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.797 -0.638 . . . . 70.14 111.715 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.16 -41.2 13.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.214 -0.448 . . . . 70.23 112.119 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -69.36 -30.03 67.95 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 73.51 112.042 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.04 127.1 70.66 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 120.897 0.379 . . . . 71.31 111.551 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.95 164.78 30.46 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.282 1.988 . . . . 72.05 112.018 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -48.42 -33.34 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.56 0.578 . . . . 72.43 112.56 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.94 -62.57 1.77 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.858 0.361 . . . . 71.33 111.206 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.08 -30.15 70.61 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.072 0.463 . . . . 73.22 111.568 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' HG12 ' A' ' 65' ' ' VAL . 82.0 t80 -59.69 -54.91 40.85 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.926 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.68 -29.11 67.85 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.911 0.386 . . . . 74.01 111.603 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -68.18 -47.31 68.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 72.35 111.238 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.91 -39.97 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.332 -0.395 . . . . 74.43 111.634 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.84 -30.47 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.469 0.544 . . . . 71.35 112.469 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.83 -7.06 56.86 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.16 0.429 . . . . 74.33 112.16 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -103.3 4.09 36.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.407 0.521 . . . . 63.54 112.407 -174.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -141.73 136.49 15.42 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.667 -0.242 . . . . 72.42 111.206 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.72 103.54 0.71 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.95 2.434 . . . . 64.22 113.03 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 34' ' ' PRO . 96.4 mt -133.21 145.76 50.87 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.059 0.457 . . . . 73.45 111.427 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -81.31 157.61 25.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.513 -0.312 . . . . 61.14 110.611 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.41 -37.02 46.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.165 0.432 . . . . 72.42 112.165 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.3 m -63.14 -36.45 83.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.063 0.459 . . . . 74.03 111.062 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.1 mt-30 -72.58 -43.21 63.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.433 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.01 -45.39 92.93 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.19 -0.319 . . . . 62.42 111.446 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.72 63.99 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 53.12 111.197 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 27' ' ' ARG . 55.0 tp -67.61 -53.76 25.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.808 -0.633 . . . . 61.14 111.248 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 40' ' ' ILE . 98.1 t -54.49 -39.94 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.037 0.446 . . . . 74.14 111.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -65.75 -35.23 80.15 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.805 0.336 . . . . 74.51 111.345 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 17.2 t70 -65.22 -48.74 72.29 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.932 0.396 . . . . 73.53 110.279 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -49.51 -50.91 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 115.915 -0.584 . . . . 73.42 111.369 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -58.28 -43.62 88.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.247 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -56.59 -36.4 69.34 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 111.977 0.362 . . . . 65.34 111.977 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HG3' ' NH2' ' A' ' 23' ' ' ARG . 18.0 mmt180 -81.94 -62.91 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.257 0.551 . . . . 73.03 111.586 -176.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.79 -36.28 91.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 116.029 -0.532 . . . . 65.13 114.39 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.09 -19.55 53.77 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.401 -0.47 . . . . 44.55 111.974 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.62 -38.42 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.966 0.412 . . . . 70.12 111.473 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -67.05 -39.92 87.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.184 0.516 . . . . 74.34 110.865 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 76' ' ' VAL . 12.7 t -91.39 33.01 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 121.663 0.744 . . . . 75.02 110.971 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.28 -20.75 11.27 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.993 -0.442 . . . . 74.41 112.139 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.59 73.01 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 63.22 112.848 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -74.14 -18.78 60.74 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 72.34 112.449 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -125.63 22.98 7.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.084 0.469 . . . . 71.32 111.842 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -82.87 -172.67 4.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.129 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.7 147.02 28.97 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.066 -0.396 . . . . 75.23 111.741 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' NZ ' ' HB3' ' A' ' 83' ' ' LYS . 8.5 mtpm? 68.87 -0.76 2.26 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.82 0.674 . . . . 51.15 112.82 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -107.18 156.05 19.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.065 -0.397 . . . . 73.44 110.883 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.0 79.52 2.19 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.218 0.532 . . . . 75.42 111.072 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.583 ' HG ' ' HG2' ' A' ' 87' ' ' GLU . 2.4 pt? -67.02 -179.93 1.02 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.693 -0.685 . . . . 53.5 112.606 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.583 ' HG2' ' HG ' ' A' ' 86' ' ' LEU . 19.5 mm-40 61.05 44.04 10.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.692 0.758 . . . . 74.24 111.689 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -141.71 110.26 6.05 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.521 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.08 99.26 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.103 0.478 . . . . 73.44 111.874 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.53 148.46 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.225 -0.443 . . . . 62.34 111.023 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--O 1.254 1.297 0 CA-C-O 118.88 -0.581 . . . . 74.41 111.755 -176.353 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.6 0.238 . . . . 70.32 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.78 94.28 0.63 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.171 -0.538 . . . . 64.45 113.436 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -85.95 85.66 7.37 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.371 0.605 . . . . 74.13 110.9 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -106.76 111.15 23.55 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.678 -0.692 . . . . 60.34 111.029 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -132.56 165.94 23.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.271 0.558 . . . . 65.41 112.474 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -130.13 160.37 33.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.89 -0.595 . . . . 65.33 110.348 174.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -161.17 119.0 2.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.385 0.513 . . . . 73.31 112.385 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -143.98 146.89 33.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.23 0.538 . . . . 72.32 112.154 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.6 p -153.68 166.03 34.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.756 -0.656 . . . . 72.54 111.121 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.48 156.3 46.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.881 0.372 . . . . 51.32 111.299 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -139.68 124.5 18.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.05 0.452 . . . . 74.41 111.406 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.66 137.36 51.61 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.292 -0.413 . . . . 61.21 111.237 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.49 151.35 39.17 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 116.428 -0.351 . . . . 61.41 111.31 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.34 110.09 2.98 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.196 1.93 . . . . 71.4 112.512 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -91.38 151.06 21.0 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.95 0.405 . . . . 73.22 111.548 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.65 109.87 22.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.027 0.441 . . . . 73.11 111.068 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -74.09 107.97 6.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.436 -0.347 . . . . 73.43 111.306 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.91 -93.46 0.44 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 121.262 -0.494 . . . . 71.35 112.73 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 65.07 12.34 7.86 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.59 89.67 1.31 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.077 0.465 . . . . 44.22 111.609 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.64 -102.37 0.16 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 121.157 -0.544 . . . . 73.12 112.986 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.427 ' H ' ' HB2' ' A' ' 25' ' ' GLU . 73.0 m -148.87 172.59 14.43 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.996 0.427 . . . . 53.35 111.882 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -45.07 -60.22 2.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.782 -0.644 . . . . 63.44 112.225 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.1 -40.95 71.0 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.025 -0.534 . . . . 75.12 111.783 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 22' ' ' SER . 22.6 mm-40 -58.48 -47.68 83.26 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.526 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -68.76 -34.04 74.9 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.608 0.242 . . . . 73.23 111.412 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -58.88 -44.67 91.17 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.154 0.502 . . . . 65.44 110.689 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.74 80.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.833 -0.621 . . . . 73.22 112.122 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.87 -21.59 54.72 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.578 0.584 . . . . 75.03 112.578 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.56 -46.97 44.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.016 0.436 . . . . 61.34 111.552 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.64 -11.77 58.97 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.199 -0.455 . . . . 64.12 111.059 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt 64.6 84.1 0.16 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.758 0.823 . . . . 73.12 112.135 -176.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.05 114.79 63.69 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 115.746 -0.661 . . . . 65.41 110.307 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -76.35 24.85 0.44 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 122.808 2.339 . . . . 51.24 114.467 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -155.52 153.39 26.38 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.799 0.333 . . . . 73.21 111.691 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.4 141.26 80.45 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.054 2.503 . . . . 72.41 113.881 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.417 ' HA ' HD12 ' A' ' 40' ' ' ILE . 47.8 p -66.62 -21.98 66.12 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.05 -0.523 . . . . 73.13 111.73 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -58.34 -58.2 9.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.894 0.378 . . . . 55.24 110.835 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.92 -35.84 35.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.057 -0.519 . . . . 71.41 111.828 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 37' ' ' THR . 63.0 mt -55.7 -44.41 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.27 0.557 . . . . 52.44 111.927 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.29 -20.09 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.154 -0.476 . . . . 73.44 111.948 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -80.16 -40.1 27.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.7 149.23 74.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.595 0.591 . . . . 72.41 112.595 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.98 172.93 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.582 2.188 . . . . 74.04 111.979 172.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -46.18 69.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 113.29 0.848 . . . . 74.03 113.29 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.3 -53.85 49.1 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.039 0.385 . . . . 72.3 112.039 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.97 -38.04 84.55 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.044 0.449 . . . . 74.44 110.919 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.66 -42.95 79.83 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.832 -0.622 . . . . 74.32 111.07 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.27 -46.68 85.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 71.22 111.136 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.0 mt-10 -61.12 -43.5 98.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.2 -45.7 53.85 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.213 -0.449 . . . . 74.53 111.427 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.44 -31.07 72.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.065 -0.516 . . . . 75.32 112.149 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.75 -33.93 19.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.443 0.535 . . . . 34.43 112.443 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.7 mtt180 -69.16 -36.32 77.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.841 0.353 . . . . 63.41 111.768 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -97.79 142.68 24.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.79 0.329 . . . . 64.3 111.622 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.47 89.61 0.33 Allowed 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.254 1.969 . . . . 54.53 112.011 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 89.2 mt -113.16 144.46 42.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.06 0.457 . . . . 73.33 112.195 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 p -89.52 162.66 15.58 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.3 -0.409 . . . . 62.43 110.484 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -49.93 -42.31 48.07 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.848 0.356 . . . . 70.44 111.691 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.444 -0.344 . . . . 75.05 111.795 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 mt-30 -69.84 -46.05 66.47 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.646 0.239 . . . . 73.33 111.646 178.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.7 mp -55.1 -41.97 72.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.026 0.441 . . . . 73.12 110.353 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.11 79.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.045 -0.525 . . . . 71.22 111.31 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.83 -41.21 90.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.845 0.355 . . . . 75.24 111.79 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.2 t -63.45 -44.57 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.698 0.285 . . . . 70.14 111.274 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 75.7 mtt-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.913 0.387 . . . . 74.04 110.629 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.415 ' CG ' HH12 ' A' ' 71' ' ' ARG . 33.9 t70 -59.1 -52.08 67.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.83 -0.623 . . . . 74.11 110.994 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.03 -44.08 95.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 121.076 0.465 . . . . 73.52 111.183 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -53.23 -43.24 67.13 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.797 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.5 -59.54 4.83 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.094 -0.503 . . . . 73.05 111.349 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.415 HH12 ' CG ' ' A' ' 67' ' ' ASP . 91.4 mtm-85 -58.91 -35.56 73.27 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.165 0.432 . . . . 65.12 112.165 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.13 92.9 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.898 -0.667 . . . . 75.32 113.402 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.52 -12.9 30.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.644 0.609 . . . . 72.41 112.644 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -62.8 -30.09 71.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.337 0.589 . . . . 51.23 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -54.78 -39.23 68.18 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.48 -0.782 . . . . 74.22 110.534 173.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 t -76.27 -45.37 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.922 -0.581 . . . . 73.13 110.482 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.99 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.005 -0.543 . . . . 74.44 111.988 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.27 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.856 0.36 . . . . 71.23 111.744 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -91.48 -2.84 57.1 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.943 0.401 . . . . 64.24 111.587 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -130.49 22.37 5.13 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.315 0.579 . . . . 54.03 110.781 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -76.46 -42.4 43.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.74 -0.663 . . . . 65.4 111.851 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.634 ' HA ' ' NE ' ' A' ' 82' ' ' ARG . 2.8 mmp_? -87.69 80.05 8.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.61 0.719 . . . . 73.11 112.352 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -80.18 127.56 32.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.128 -0.942 . . . . 71.53 110.265 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.84 147.77 30.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.083 0.468 . . . . 75.54 111.892 -171.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -142.35 105.1 4.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.376 -0.374 . . . . 74.14 111.435 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.3 mm? -86.67 152.14 22.82 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.392 -0.367 . . . . 73.33 111.374 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.87 110.37 2.84 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.971 0.36 . . . . 71.44 111.971 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.3 m -104.13 103.43 13.22 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.784 -0.45 . . . . 74.24 109.784 172.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mt -71.57 86.35 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.553 0.692 . . . . 74.41 112.259 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.72 145.28 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.782 -0.645 . . . . 70.21 110.952 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 N-CA-C 112.443 0.534 . . . . 74.44 112.443 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.611 0.243 . . . . 73.13 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.92 139.44 15.78 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 62.04 112.516 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -83.57 12.52 5.6 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 122.333 -0.51 . . . . 72.14 111.891 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -140.62 143.31 35.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.679 0.392 . . . . 63.11 110.47 174.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -82.08 104.09 12.17 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.055 0.455 . . . . 71.23 111.387 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -80.42 173.81 12.23 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.563 -0.29 . . . . 64.22 111.107 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 7' ' ' HIS . 50.7 t60 58.06 33.94 23.7 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.737 0.78 . . . . 72.54 110.516 -172.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -76.77 69.86 3.18 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.376 0.608 . . . . 54.53 111.932 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -169.99 168.41 8.59 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.968 -0.56 . . . . 63.41 111.384 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -125.5 23.19 7.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.737 0.304 . . . . 72.32 111.196 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.6 mmm -67.85 -32.03 72.27 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.542 -0.299 . . . . 54.51 111.255 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.08 123.54 28.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.526 -0.306 . . . . 74.12 110.633 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -77.97 114.13 39.17 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 112.97 0.73 . . . . 63.34 112.97 -171.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -92.51 113.61 0.29 Allowed 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.227 2.618 . . . . 54.33 112.509 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -135.23 -72.43 0.47 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.76 0.281 . . . . 62.4 111.76 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 102.54 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.198 0.444 . . . . 75.14 112.198 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -89.84 157.95 17.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.832 0.349 . . . . 75.35 111.171 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.03 133.23 9.54 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.097 -0.573 . . . . 51.12 112.923 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.63 140.57 56.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.988 0.423 . . . . 74.0 111.739 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.65 -67.34 1.0 Allowed 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.269 -0.423 . . . . 74.02 110.769 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.35 56.46 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 114.994 0.758 . . . . 54.34 114.994 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 58.7 m -86.9 152.66 22.24 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 122.158 -0.613 . . . . 35.41 110.122 169.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 23' ' ' ARG . 18.7 mtm180 -49.09 -44.06 41.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.461 0.648 . . . . 73.42 110.726 177.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.47 -57.28 12.56 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 74.22 111.565 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.54 -41.64 73.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.922 0.391 . . . . 74.44 112.054 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 22' ' ' SER . 61.8 mtp180 -63.78 -35.59 81.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.641 0.258 . . . . 63.4 111.577 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.9 -36.38 83.14 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.078 0.466 . . . . 75.42 110.749 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 -53.05 50.79 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.244 -0.434 . . . . 74.34 111.755 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.4 pp -70.08 -24.09 63.18 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.012 0.375 . . . . 62.43 112.012 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.05 92.97 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.142 0.496 . . . . 50.44 110.916 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.7 mmm -96.06 8.22 44.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.921 -0.581 . . . . 74.33 111.443 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HB3' ' NZ ' ' A' ' 32' ' ' LYS . 7.3 mtpm? 56.78 69.92 0.7 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.647 0.61 . . . . 73.15 112.647 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.34 117.48 67.42 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 116.303 -0.408 . . . . 74.25 110.845 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.66 27.53 0.56 Allowed 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.92 2.414 . . . . 41.44 114.324 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -155.64 144.65 14.96 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 122.242 -0.286 . . . . 74.33 111.498 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.29 137.79 44.68 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.727 2.284 . . . . 74.11 113.78 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 40' ' ' ILE . 60.2 p -63.64 -33.77 76.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.917 -0.583 . . . . 70.04 111.671 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.97 -49.84 38.64 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.262 0.553 . . . . 74.41 110.941 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.3 -42.09 99.07 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.888 -0.597 . . . . 73.35 111.182 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 37' ' ' THR . 73.8 mt -52.68 -42.92 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.342 0.591 . . . . 73.52 111.366 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.5 t -76.85 -33.63 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.928 -0.578 . . . . 70.03 112.097 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -78.51 -33.34 48.11 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.571 0.582 . . . . 73.31 112.571 -176.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -69.13 147.6 97.54 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-O 121.002 0.43 . . . . 71.53 112.032 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.95 168.95 23.14 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.347 2.031 . . . . 64.23 111.713 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.62 -34.0 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 120.901 0.381 . . . . 74.32 111.735 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.49 -61.36 2.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.581 0.352 . . . . 73.5 111.597 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.96 -35.58 78.88 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.803 0.335 . . . . 70.22 111.773 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.26 -51.34 70.19 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.999 0.428 . . . . 73.03 111.433 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -57.24 -44.26 83.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.314 -0.403 . . . . 75.34 111.19 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 43.7 mt-10 -59.37 -46.6 88.22 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.078 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.84 -45.42 74.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.991 -0.549 . . . . 74.24 111.546 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.63 -30.41 70.68 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.304 0.483 . . . . 72.33 112.304 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.61 24.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.257 0.466 . . . . 72.12 112.257 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 90.4 mtt180 -69.71 -49.47 53.0 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -84.7 132.81 45.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 122.223 -0.298 . . . . 74.15 111.493 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.88 87.44 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.604 2.202 . . . . 73.2 112.826 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 81.6 mt -107.82 159.41 16.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.154 -0.475 . . . . 72.11 111.272 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.423 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 43.4 p -80.66 157.74 25.85 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.296 -0.261 . . . . 74.22 110.296 173.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.01 -37.46 45.28 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.847 0.356 . . . . 62.24 111.762 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -63.4 -41.54 98.74 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.404 -0.362 . . . . 74.52 111.49 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 55.3 mt-30 -64.67 -45.39 86.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.852 -0.158 . . . . 64.12 111.417 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.47 -42.0 86.5 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.904 0.383 . . . . 74.32 110.919 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.83 96.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.982 0.42 . . . . 51.13 111.175 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 31' ' ' MET . 59.8 tp -56.76 -50.51 72.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.06 -0.518 . . . . 70.12 111.072 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 40' ' ' ILE . 73.1 t -56.4 -37.0 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.609 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -67.95 -36.98 81.02 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 122.156 -0.34 . . . . 71.41 111.267 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -66.29 -42.31 88.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.853 0.359 . . . . 65.02 110.421 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 37' ' ' THR . 76.7 mt -57.08 -46.61 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.095 0.474 . . . . 74.34 111.027 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -59.4 -45.05 92.58 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.137 0.494 . . . . 74.52 111.366 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -63.98 -48.65 75.59 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.135 -0.484 . . . . 74.23 112.046 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' NH2' HG12 ' A' ' 68' ' ' ILE . 23.1 ptt180 -76.88 -30.27 56.16 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.859 0.362 . . . . 73.12 111.759 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.12 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.171 -0.537 . . . . 72.01 112.794 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.15 -25.78 66.34 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 122.403 -0.469 . . . . 73.52 110.49 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 46.4 t30 -54.25 -31.94 54.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.996 0.426 . . . . 71.22 111.039 174.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.36 -40.37 74.4 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.11 0.481 . . . . 75.31 111.103 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.3 -18.25 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.921 -0.581 . . . . 74.32 111.721 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.66 -46.4 10.21 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.454 0.909 . . . . 53.34 113.454 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.5 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.099 0.407 . . . . 62.43 112.099 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.52 -33.15 31.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.909 0.385 . . . . 75.02 111.465 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.37 -17.98 59.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.006 0.431 . . . . 74.24 111.031 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 33.6 t80 -59.06 157.64 9.88 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.292 -0.413 . . . . 53.55 111.284 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 81' ' ' TYR . 25.7 mmt180 72.37 19.75 4.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.839 0.456 . . . . 53.42 112.101 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.34 120.96 35.35 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.503 -0.317 . . . . 71.54 110.158 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 84' ' ' ARG . 62.6 mtt180 -96.67 170.5 9.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.281 0.562 . . . . 75.1 112.459 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -92.35 107.82 19.5 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.807 -0.633 . . . . 73.14 110.079 171.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.6 mt -101.07 71.61 1.41 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.18 0.437 . . . . 70.41 112.18 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -83.77 149.05 26.69 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.181 0.515 . . . . 75.2 111.599 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 t -139.59 178.2 7.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.1 -0.5 . . . . 50.25 111.274 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.85 140.07 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.71 0.29 . . . . 63.23 111.249 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 131.49 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.933 0.397 . . . . 74.44 111.756 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 118.954 -0.546 . . . . 72.12 111.873 178.581 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.599 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 112.021 0.378 . . . . 63.41 112.021 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.14 113.57 2.93 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 121.094 -0.574 . . . . 60.42 113.03 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -87.47 85.96 7.18 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.105 0.479 . . . . 71.21 111.44 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -69.12 98.2 0.97 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.359 0.6 . . . . 71.11 112.369 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -108.1 104.62 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.971 -0.559 . . . . 70.22 111.052 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -98.63 152.32 19.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.894 0.378 . . . . 73.44 111.595 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -63.5 159.64 18.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.19 0.519 . . . . 73.24 112.396 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.65 -51.11 2.93 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.777 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -136.66 161.02 37.09 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.285 0.564 . . . . 72.15 112.147 -175.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -165.14 119.89 1.31 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.617 -0.72 . . . . 61.23 110.647 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -173.46 158.88 3.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.935 0.397 . . . . 75.24 111.826 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 138.72 43.56 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.964 0.411 . . . . 71.34 111.486 177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HE2' ' HD2' ' A' ' 14' ' ' PRO . 14.5 mmmm -95.55 151.27 38.44 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.475 -0.33 . . . . 74.15 111.542 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.588 ' HD2' ' HE2' ' A' ' 13' ' ' LYS . 42.9 Cg_endo -67.06 136.82 42.28 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.583 2.189 . . . . 74.02 113.012 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 m -85.08 108.71 17.79 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.36 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.63 115.34 22.59 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 111.729 0.27 . . . . 73.12 111.729 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -111.65 171.54 7.43 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.711 0.291 . . . . 74.25 111.446 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.4 146.65 12.19 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 121.164 -0.541 . . . . 51.13 113.234 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -140.6 141.32 35.17 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.154 0.502 . . . . 72.1 111.924 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.79 155.07 45.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.875 -0.602 . . . . 44.24 110.962 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.6 83.98 0.34 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.957 -0.639 . . . . 71.35 114.133 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.497 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 42.0 t 177.75 153.07 0.27 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.956 0.408 . . . . 44.21 111.635 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -58.37 -40.75 83.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.167 0.508 . . . . 73.13 110.676 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -41.51 96.42 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.869 -0.605 . . . . 70.42 111.104 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 6.0 mm-40 -56.2 -40.27 73.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.81 -0.632 . . . . 72.31 111.149 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -59.04 -40.77 86.08 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.369 -0.378 . . . . 72.23 111.174 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.3 -44.69 94.29 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.05 0.452 . . . . 62.25 110.785 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.05 -58.14 9.99 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.087 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -65.16 -28.25 69.28 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.796 0.295 . . . . 63.13 111.796 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -64.81 -37.15 86.65 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.948 0.404 . . . . 71.31 111.266 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.565 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.4 mmm -99.18 11.65 38.44 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.362 -0.381 . . . . 72.33 111.321 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 56.11 48.21 18.04 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.606 0.595 . . . . 72.23 112.606 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.6 mm -75.74 119.67 78.16 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.814 -0.63 . . . . 64.24 110.924 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -82.52 29.27 0.55 Allowed 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 122.889 2.393 . . . . 45.54 114.496 -175.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -157.16 144.6 13.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 111.833 0.309 . . . . 73.25 111.833 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.79 147.83 81.63 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 123.176 2.584 . . . . 73.3 114.065 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.551 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.1 p -71.81 -35.16 69.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.854 -0.612 . . . . 63.34 112.506 -177.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -56.88 -42.56 80.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.893 0.378 . . . . 73.13 110.992 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -60.79 -48.95 79.49 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.405 -0.361 . . . . 73.43 110.475 176.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.553 HD13 HG13 ' A' ' 65' ' ' VAL . 80.1 mt -48.98 -46.55 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.221 0.534 . . . . 64.43 111.784 177.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 60.6 t -70.84 -40.82 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.931 -0.577 . . . . 74.13 112.427 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -90.09 -2.83 58.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.1 0.778 . . . . 73.2 113.1 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 27.8 mt -75.37 145.41 79.65 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 122.168 -0.332 . . . . 72.24 111.217 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 33.8 Cg_exo -58.7 160.7 16.84 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.397 2.065 . . . . 74.14 112.035 171.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.86 -40.23 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 64.43 110.97 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -53.96 24.72 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.038 -0.528 . . . . 72.13 111.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -62.38 -32.31 73.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.677 0.275 . . . . 72.33 111.719 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.56 -50.12 73.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.962 0.411 . . . . 75.32 110.977 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.58 -40.59 95.3 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.349 -0.387 . . . . 64.41 111.062 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.3 mm-40 -55.5 -47.96 75.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.955 0.407 . . . . 62.33 110.647 172.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.6 tp -51.24 -53.69 32.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.94 -0.573 . . . . 74.42 111.611 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD21 HG11 ' A' ' 65' ' ' VAL . 84.4 mt -68.45 -21.98 64.61 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.379 0.511 . . . . 64.24 112.379 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.72 -19.6 34.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.088 0.47 . . . . 54.44 111.502 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 83.4 mtt180 -94.17 -28.67 15.53 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.134 0.42 . . . . 73.11 112.134 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -100.88 115.96 64.66 Favored Pre-proline 0 N--CA 1.471 0.619 0 N-CA-C 111.72 0.267 . . . . 73.34 111.72 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.33 75.81 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.627 2.218 . . . . 73.32 112.974 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 83.1 mt -94.2 158.2 15.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.994 -0.548 . . . . 62.22 111.325 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -80.26 157.91 26.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.526 -0.306 . . . . 70.15 110.831 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -43.33 -55.75 3.9 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.99 0.737 . . . . 74.32 112.99 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.4 m -54.94 -32.69 61.54 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.562 0.578 . . . . 64.01 112.562 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.2 mt-30 -70.98 -45.87 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.587 0.217 . . . . 70.13 111.587 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 62' ' ' LEU . 6.0 mp -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.951 0.405 . . . . 74.21 110.588 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.14 73.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.088 -0.505 . . . . 63.15 111.113 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.565 HD22 ' HG3' ' A' ' 31' ' ' MET . 54.8 tp -71.21 -51.85 22.4 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.405 -0.361 . . . . 72.42 111.331 176.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.553 HG13 HD13 ' A' ' 40' ' ' ILE . 86.4 t -52.34 -45.2 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 112.206 0.447 . . . . 74.12 112.206 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 66' ' ' ARG . 46.9 mtt180 -64.21 -35.29 80.33 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.898 0.38 . . . . 72.22 111.415 177.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 38.7 t70 -71.47 -36.34 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.757 0.313 . . . . 61.55 111.019 177.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LEU . 75.3 mt -59.96 -44.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.75 0.31 . . . . 71.12 111.458 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.573 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 44.9 ttt-85 -58.87 -39.01 80.1 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.412 0.625 . . . . 72.5 110.207 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -64.95 -40.54 95.18 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.697 -0.683 . . . . 70.03 111.125 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 23.8 mtp180 -68.22 -28.06 66.91 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.917 -0.583 . . . . 71.11 112.105 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.1 -40.54 11.37 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.75 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -76.37 -24.91 54.18 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.857 0.688 . . . . 61.43 112.857 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -57.21 -33.39 67.47 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.959 -0.463 . . . . 70.44 111.821 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.32 -58.27 5.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.907 0.385 . . . . 55.44 111.108 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.54 -21.98 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.169 0.509 . . . . 63.44 111.553 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.41 70.02 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.352 -0.385 . . . . 61.03 111.328 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.47 63.14 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.99 0.424 . . . . 74.14 111.4 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -73.7 -36.92 65.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.078 0.466 . . . . 73.12 110.909 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -93.84 -3.12 52.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.996 -0.547 . . . . 71.12 111.975 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.65 120.14 16.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.172 0.511 . . . . 63.02 111.799 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -75.05 129.51 37.72 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.044 -0.525 . . . . 65.53 110.762 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -83.4 160.76 21.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.022 0.439 . . . . 72.21 111.617 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 84' ' ' ARG . 15.5 ptt180 -73.33 150.16 42.07 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.185 0.517 . . . . 74.24 112.256 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -83.32 137.66 33.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.889 -0.596 . . . . 63.21 110.262 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.24 160.21 22.01 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.302 0.572 . . . . 74.43 111.829 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.46 -164.07 0.37 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.691 -0.686 . . . . 72.14 111.407 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.5 p -50.68 116.8 2.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.355 -0.384 . . . . 74.34 111.631 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.3 mm -72.99 121.97 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 121.094 0.474 . . . . 64.43 111.818 -176.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.3 m -70.58 176.84 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 116.188 -0.46 . . . . 44.15 111.73 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.394 -0.812 . . . . 71.5 111.819 176.821 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.795 0.331 . . . . 74.13 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.73 -167.51 40.65 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.247 -0.433 . . . . 55.32 112.202 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -130.08 126.55 37.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 117.249 0.525 . . . . 72.12 111.594 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -86.25 113.01 21.92 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.986 0.422 . . . . 72.15 111.102 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -106.28 159.29 16.23 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.46 -0.336 . . . . 72.21 111.511 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -160.12 121.51 3.14 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.044 0.45 . . . . 42.32 111.86 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -121.68 135.59 54.96 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.554 0.342 . . . . 72.33 110.724 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -142.47 139.95 31.72 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.585 0.587 . . . . 71.31 112.585 -172.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -127.74 150.93 49.57 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.943 -0.571 . . . . 64.21 110.873 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -93.05 -69.66 0.74 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.787 0.327 . . . . 73.14 111.746 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.9 ttt -87.73 114.54 24.44 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.124 -0.36 . . . . 74.24 110.828 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.51 87.15 2.65 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.963 0.357 . . . . 54.43 111.963 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 65.21 137.36 0.05 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 112.617 0.599 . . . . 65.04 112.617 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.81 176.48 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.391 2.06 . . . . 52.3 112.512 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.4 m -150.56 121.19 7.48 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.089 -0.382 . . . . 73.24 111.291 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.86 158.49 15.49 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.231 0.539 . . . . 75.35 112.315 -176.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -115.94 133.21 56.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.824 -0.625 . . . . 71.51 110.992 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.47 98.66 0.24 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.915 -0.659 . . . . 33.42 113.152 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.28 152.39 22.95 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.849 0.357 . . . . 74.44 110.962 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 25' ' ' GLU . . . -148.68 176.7 10.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.977 0.417 . . . . 74.12 111.835 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.26 -54.06 0.31 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.007 -0.616 . . . . 43.43 113.955 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 m -72.51 157.65 37.2 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.67 0.619 . . . . 43.33 112.67 -172.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -56.31 21.52 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.239 -0.437 . . . . 63.54 111.48 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.966 ' HB3' HH22 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -54.45 -47.89 72.38 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.479 -0.328 . . . . 73.14 111.705 178.217 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 84.9 mt-10 -51.15 -46.91 62.17 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.871 0.367 . . . . 62.1 111.583 174.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -63.96 -35.55 81.05 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.922 0.342 . . . . 73.23 111.922 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -71.99 -37.46 69.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.843 0.354 . . . . 74.52 111.215 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -57.23 13.83 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 30' ' ' ALA . 3.9 pp -64.86 -26.28 68.26 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.456 -0.338 . . . . 74.02 111.836 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -70.25 -43.24 70.94 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.947 0.404 . . . . 72.25 111.503 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.0 mmm -87.39 14.3 8.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.324 -0.398 . . . . 72.41 111.867 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 53.84 2.95 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.446 0.535 . . . . 74.11 112.446 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.48 112.37 55.09 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 116.628 -0.26 . . . . 72.43 110.458 174.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.09 -12.37 17.58 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.791 2.327 . . . . 75.22 114.441 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -113.9 144.17 30.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 120.801 0.334 . . . . 72.32 111.774 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.25 147.53 83.56 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.04 2.494 . . . . 73.52 114.023 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.439 ' HA ' HD12 ' A' ' 40' ' ' ILE . 80.6 p -64.15 -33.23 75.31 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.74 -0.664 . . . . 74.31 112.107 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.93 -35.34 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.011 0.434 . . . . 64.42 111.487 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.4 ttmt -69.39 -42.64 74.85 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.939 0.4 . . . . 74.31 110.376 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.4 mt -55.1 -48.5 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 115.875 -0.602 . . . . 53.11 111.923 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.49 -35.77 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 112.624 0.602 . . . . 74.44 112.624 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.51 -2.68 58.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.638 0.977 . . . . 72.31 113.638 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 51' ' ' LEU . 79.2 mt -88.79 136.92 30.32 Favored Pre-proline 0 N--CA 1.473 0.681 0 O-C-N 122.048 -0.407 . . . . 71.11 111.285 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.26 170.65 19.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.632 2.221 . . . . 74.33 112.106 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.17 -46.51 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.555 0.576 . . . . 63.5 112.555 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 9.0 m-20 -62.38 -63.16 1.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.57 -33.84 66.54 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.851 0.315 . . . . 61.44 111.851 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HE1' HG23 ' A' ' 40' ' ' ILE . 82.1 t80 -62.83 -52.22 63.98 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.36 -0.382 . . . . 73.21 111.399 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -61.53 -29.55 70.07 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.114 0.483 . . . . 64.31 111.193 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 46.1 mt-10 -72.84 -40.97 65.31 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.666 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 43' ' ' LEU . 49.5 tp -52.8 -48.01 67.19 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.083 0.468 . . . . 73.24 110.951 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -57.38 -37.44 72.67 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.987 -0.551 . . . . 73.34 111.772 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.32 -18.31 55.37 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.594 0.59 . . . . 60.23 112.594 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.8 mtp180 -89.18 -4.16 58.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.215 0.45 . . . . 74.35 112.215 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 91.8 m-85 -129.7 137.48 31.01 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-O 120.593 0.235 . . . . 54.14 111.512 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 11.9 Cg_exo -70.27 73.86 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.788 2.325 . . . . 43.41 112.63 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.03 149.77 24.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.153 0.502 . . . . 65.32 111.635 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.5 p -85.83 157.69 20.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.365 -0.38 . . . . 54.12 110.522 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.14 -36.9 20.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.101 0.477 . . . . 72.23 111.434 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m -63.3 -42.55 99.04 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.04 -0.527 . . . . 72.52 111.321 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.8 mt-30 -65.91 -45.47 81.79 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.607 -0.269 . . . . 72.54 111.235 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.28 -35.73 72.22 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.904 0.383 . . . . 73.25 110.884 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.54 89.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.758 0.313 . . . . 53.42 111.095 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.57 -47.8 83.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.462 -0.335 . . . . 74.22 111.846 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 61' ' ' GLN . 58.6 t -56.49 -42.5 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.052 0.453 . . . . 71.13 111.116 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -66.89 -36.77 83.05 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.247 -0.433 . . . . 75.35 111.796 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.67 -50.03 74.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.276 0.56 . . . . 71.1 110.984 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.46 -42.9 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.816 -0.629 . . . . 74.03 111.312 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -39.44 93.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.628 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.99 -61.32 2.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.91 0.386 . . . . 74.24 111.24 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.966 HH22 ' HB3' ' A' ' 24' ' ' ASP . 47.1 mtm105 -66.57 -36.7 83.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.543 -0.299 . . . . 71.43 111.654 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.55 -49.08 76.84 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.417 -0.42 . . . . 62.3 112.96 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -68.29 -34.6 76.45 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 122.254 -0.556 . . . . 71.0 110.437 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.33 -35.02 76.23 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.127 0.489 . . . . 72.25 110.697 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -59.12 -38.92 80.75 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.116 0.484 . . . . 75.45 111.009 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.16 -45.82 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-O 121.289 0.566 . . . . 74.2 111.142 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.37 -30.51 69.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.836 -0.62 . . . . 45.44 112.174 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.86 -31.73 50.6 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 112.352 0.501 . . . . 74.0 112.352 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -77.18 -22.97 51.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.99 0.424 . . . . 74.21 111.771 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -115.13 24.1 11.96 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.327 0.584 . . . . 71.12 110.266 175.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.26 -39.21 78.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.426 -0.806 . . . . 73.43 112.822 -175.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -59.29 97.71 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.259 0.552 . . . . 74.34 111.486 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -110.34 109.65 20.14 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.039 -0.528 . . . . 74.35 110.668 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -70.59 135.19 48.27 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.823 0.344 . . . . 71.33 111.259 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.24 176.66 9.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.922 0.391 . . . . 73.32 111.031 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -69.82 156.11 39.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.968 0.413 . . . . 61.41 111.738 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -74.21 138.7 43.88 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.534 -0.303 . . . . 54.05 110.458 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 t -165.22 165.54 19.58 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.241 0.46 . . . . 73.1 112.241 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.0 pt -132.38 179.15 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.961 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p -120.89 143.79 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.733 -0.212 . . . . 63.53 110.496 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.319 -0.848 . . . . 70.21 111.479 -174.236 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.684 0.278 . . . . 75.23 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.41 -139.1 10.79 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.319 -0.467 . . . . 51.03 112.119 -177.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 60.04 22.02 11.17 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.455 0.645 . . . . 51.34 111.181 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -125.16 133.4 52.81 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.097 -0.501 . . . . 73.01 110.96 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -132.56 129.2 38.72 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.036 0.446 . . . . 73.4 112.089 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -87.26 159.55 18.77 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.847 0.356 . . . . 52.03 111.224 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -154.67 34.92 0.4 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.31 0.576 . . . . 75.24 110.655 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -77.97 86.81 4.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.66 0.743 . . . . 74.42 111.582 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 p -95.94 158.52 15.41 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.801 -0.636 . . . . 70.43 111.06 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -155.81 131.69 9.88 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.762 0.315 . . . . 71.23 111.304 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.1 mtm -75.2 143.38 43.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.368 0.604 . . . . 55.44 112.048 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.61 ' H ' ' HG3' ' A' ' 56' ' ' PRO . . . -160.2 -175.31 4.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.609 -0.723 . . . . 75.34 110.305 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.94 144.39 44.87 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 120.619 0.247 . . . . 64.43 111.293 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HA ' ' HB3' ' A' ' 34' ' ' PRO . 53.0 Cg_exo -56.95 112.64 1.16 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.801 2.334 . . . . 75.14 113.527 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.4 p -73.82 -31.12 63.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.132 0.491 . . . . 70.0 111.32 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.48 152.11 19.29 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.114 -0.494 . . . . 63.22 110.521 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -107.4 -38.98 5.79 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.21 0.529 . . . . 51.34 111.641 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.84 134.83 6.21 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 115.943 -0.572 . . . . 43.11 112.111 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -81.54 -19.54 41.87 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 122.375 -0.485 . . . . 73.43 111.118 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 64.71 23.37 12.75 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.436 0.532 . . . . 75.53 112.436 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.79 -52.31 2.65 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.932 -0.651 . . . . 53.44 112.569 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.1 m -80.02 147.02 31.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.268 0.556 . . . . 44.12 111.949 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -50.95 -38.79 52.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.687 -0.688 . . . . 71.41 112.457 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.91 -44.57 95.72 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 72.23 111.978 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 43.5 mt-10 -51.78 -43.35 62.99 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.207 0.447 . . . . 75.41 112.207 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -53.16 -28.7 27.57 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.843 0.312 . . . . 74.52 111.843 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 8.9 mpt_? -85.5 -42.71 14.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.14 0.495 . . . . 73.54 110.851 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.12 -53.58 56.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.033 -0.531 . . . . 61.11 111.886 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 4.1 pp -68.41 -30.23 69.08 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.918 0.34 . . . . 74.3 111.918 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -63.22 -32.84 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.104 0.478 . . . . 33.22 111.271 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.632 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 95.6 mmm -98.85 -14.6 19.56 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.152 -0.476 . . . . 71.43 111.345 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HE2' ' HG2' ' A' ' 14' ' ' PRO . 52.7 mtpt 71.57 89.39 0.1 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.55 0.74 . . . . 74.13 112.091 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 35' ' ' PHE . 50.1 mm -106.77 118.45 54.26 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.699 -0.682 . . . . 72.32 110.939 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.486 ' HB3' ' HA ' ' A' ' 14' ' ' PRO . 86.5 Cg_endo -78.65 18.75 0.93 Allowed 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.866 2.377 . . . . 72.4 114.661 -175.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' H ' HG22 ' A' ' 33' ' ' ILE . 27.8 p90 -149.18 146.56 21.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 121.961 -0.462 . . . . 74.53 111.68 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.04 150.85 84.86 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.923 2.415 . . . . 61.53 113.736 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.0 p -62.87 -35.95 81.68 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.622 -0.717 . . . . 72.33 112.737 -176.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.1 -43.71 95.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.942 0.401 . . . . 74.23 111.482 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -51.73 -42.04 61.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.287 0.565 . . . . 73.1 111.127 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.59 -43.1 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.603 -0.726 . . . . 75.0 112.654 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 69' ' ' ARG . 42.6 t -88.47 -35.88 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 112.317 0.488 . . . . 73.43 112.317 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -79.71 -23.22 42.51 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.639 0.978 . . . . 75.2 113.639 -173.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 HD22 ' A' ' 51' ' ' LEU . 34.1 mt -66.45 142.54 97.76 Favored Pre-proline 0 N--CA 1.476 0.866 0 O-C-N 121.996 -0.44 . . . . 64.24 111.779 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 159.07 34.89 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.292 1.995 . . . . 32.35 112.044 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.41 -44.95 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 113.123 0.786 . . . . 62.43 113.123 -172.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.01 -55.54 33.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.939 0.4 . . . . 61.23 111.362 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.87 -25.03 68.09 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.487 -0.324 . . . . 75.45 111.866 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 51' ' ' LEU . 77.0 t80 -67.92 -51.02 52.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.022 0.439 . . . . 71.11 110.809 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -60.99 -38.83 87.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.133 0.492 . . . . 74.31 110.786 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 55.2 mt-10 -73.54 -26.77 61.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.121 -0.491 . . . . 63.52 111.609 177.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 43' ' ' LEU . 55.8 tp -52.69 -42.62 64.95 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.246 0.546 . . . . 75.13 110.68 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 mt -72.09 -18.86 61.88 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.54 -0.755 . . . . 72.23 112.02 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.53 -34.44 15.54 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.152 0.501 . . . . 72.03 111.671 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 96.6 mtt180 -74.62 -33.99 62.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.043 -0.526 . . . . 73.33 110.856 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -110.14 127.96 26.17 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.541 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.61 ' HG3' ' H ' ' A' ' 12' ' ' ALA . 57.8 Cg_endo -68.08 108.52 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.774 2.316 . . . . 65.14 113.325 -176.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 94.4 mt -130.17 148.91 52.06 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.031 0.443 . . . . 73.04 111.659 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -85.45 159.93 19.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.43 -0.35 . . . . 73.11 110.439 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.64 -50.04 7.53 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.387 0.884 . . . . 74.43 113.387 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 122.21 -0.306 . . . . 64.42 111.776 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.632 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 53.1 mt-30 -68.07 -40.65 82.69 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.586 0.232 . . . . 64.23 110.84 176.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.94 -44.04 97.82 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.17 0.51 . . . . 75.24 110.4 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.56 94.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.957 -0.565 . . . . 52.05 111.237 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.6 -50.14 72.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.245 -0.434 . . . . 73.14 111.449 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 61' ' ' GLN . 86.0 t -57.22 -44.68 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 120.978 0.418 . . . . 61.25 111.224 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.41 -27.69 68.72 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.824 0.345 . . . . 75.31 111.509 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 7.9 t70 -75.3 -44.69 44.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.88 0.371 . . . . 71.22 110.729 177.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.76 -43.81 84.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.507 -0.315 . . . . 64.21 110.726 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HA ' HG22 ' A' ' 41' ' ' VAL . 12.7 ttm180 -60.93 -37.25 81.64 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.644 0.259 . . . . 65.21 111.036 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 67' ' ' ASP . 30.7 ttm180 -60.51 -50.65 72.7 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.97 0.414 . . . . 74.02 111.01 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 24.9 mmm180 -67.53 -39.03 85.06 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.37 -0.377 . . . . 71.4 111.357 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -38.17 79.97 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.023 -0.608 . . . . 65.15 112.978 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.79 -30.95 71.85 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.63 -0.335 . . . . 73.42 110.971 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -33.83 69.6 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.984 0.421 . . . . 61.15 110.473 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -63.25 -45.89 89.45 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.068 -0.514 . . . . 75.41 111.44 175.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 47.2 t -73.76 -41.9 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.086 0.469 . . . . 54.3 111.749 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 81' ' ' TYR . . . -62.39 -24.57 67.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.284 -0.416 . . . . 73.11 112.071 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.29 -20.75 4.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.902 0.705 . . . . 74.21 112.902 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 12.9 pt20 -106.51 -46.53 3.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.372 0.508 . . . . 65.43 112.372 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 21.0 p30 -98.09 12.22 35.11 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.903 0.705 . . . . 73.31 112.903 -172.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 63.5 t80 -62.57 -19.16 63.41 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.826 0.346 . . . . 75.53 111.722 177.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -75.36 67.13 1.9 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.196 0.522 . . . . 72.13 111.138 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' HD11 ' A' ' 86' ' ' LEU . 8.9 tttm -94.3 138.02 32.77 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.358 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -79.65 174.68 11.34 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.002 0.429 . . . . 72.03 112.114 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 65.37 73.31 0.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.511 0.672 . . . . 72.32 111.708 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' N ' HD12 ' A' ' 86' ' ' LEU . 3.8 mp -109.34 179.73 4.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.912 -0.586 . . . . 61.4 110.438 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.07 112.4 12.47 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.117 0.484 . . . . 73.41 110.376 173.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.8 p -59.91 110.61 1.22 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.499 0.555 . . . . 62.12 112.499 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.41 132.62 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 120.882 0.373 . . . . 73.12 111.293 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG22 ' OE1' ' A' ' 91' ' ' GLN . 9.1 p -102.63 151.3 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 116.615 -0.266 . . . . 74.35 111.444 -175.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.426 ' OE1' HG22 ' A' ' 90' ' ' VAL . 2.8 mp0 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 122.933 0.493 . . . . 72.43 111.323 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.591 0.234 . . . . 61.5 111.266 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.04 -66.99 1.44 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.231 -0.509 . . . . 63.21 113.272 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 21.2 m80 -73.39 85.36 1.48 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.926 0.394 . . . . 72.14 110.93 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -79.59 -32.03 41.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.409 -0.359 . . . . 73.41 111.94 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -148.35 137.69 22.02 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.294 -0.254 . . . . 74.25 110.758 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -144.07 140.66 29.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.687 0.28 . . . . 60.41 111.551 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -71.55 150.84 44.38 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 71.41 111.617 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -78.5 178.49 7.72 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.231 -0.44 . . . . 74.01 111.538 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p -144.4 130.59 19.61 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.061 0.458 . . . . 74.41 112.175 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -142.02 157.03 45.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.533 0.333 . . . . 74.13 110.874 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.33 151.65 31.5 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 63.35 112.811 -176.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.62 106.29 3.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.898 -0.592 . . . . 75.31 110.794 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -76.41 112.44 21.38 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.984 0.421 . . . . 73.2 111.917 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -92.98 141.56 1.96 Allowed 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.124 2.549 . . . . 65.33 113.613 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.4 m -107.97 97.48 7.18 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.858 0.361 . . . . 72.31 110.426 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.26 32.16 2.28 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.798 0.666 . . . . 51.14 112.798 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -134.97 -179.67 5.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.927 0.394 . . . . 72.11 111.389 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.75 56.01 0.77 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.388 -0.685 . . . . 71.41 111.388 -173.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.77 130.58 54.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.587 0.355 . . . . 70.01 111.184 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . . . -172.19 -174.43 1.25 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.224 0.453 . . . . 64.12 112.224 -177.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.93 -50.83 0.19 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.702 0.641 . . . . 40.31 114.702 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.546 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 38.0 m -59.07 154.28 16.09 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.625 0.602 . . . . 73.12 112.625 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 35.7 ttm180 -46.79 -61.54 1.8 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.949 -0.569 . . . . 75.52 112.386 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.2 m-20 -61.97 -32.46 72.92 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.218 0.451 . . . . 71.21 112.218 -177.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.546 ' HG2' ' HB2' ' A' ' 22' ' ' SER . 56.8 mm-40 -58.3 -48.64 79.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.185 0.517 . . . . 63.12 110.446 171.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 22.3 mtm180 -66.06 -32.64 74.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.869 -0.605 . . . . 73.13 111.724 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.541 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 80.3 mtp180 -60.38 -45.17 94.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 74.34 110.161 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.02 -57.2 12.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.566 -0.743 . . . . 71.12 112.161 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.5 pp -64.76 -31.86 73.29 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.208 0.447 . . . . 64.23 112.208 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.458 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -64.27 -45.63 87.2 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.315 0.578 . . . . 71.51 110.851 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.562 ' HG3' HD22 ' A' ' 64' ' ' LEU . 95.6 mmm -81.16 0.9 34.28 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.319 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm 64.44 39.24 7.09 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.689 0.626 . . . . 73.45 112.689 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.75 118.89 62.1 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.293 -0.412 . . . . 61.34 111.09 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.31 24.75 0.72 Allowed 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 123.044 2.496 . . . . 63.45 114.939 -173.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -148.8 150.98 34.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 122.158 -0.339 . . . . 60.44 111.682 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.01 145.19 66.73 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 123.015 2.477 . . . . 64.14 114.255 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.52 ' HA ' HD12 ' A' ' 40' ' ' ILE . 67.5 p -70.55 -43.44 69.53 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.79 -0.641 . . . . 74.41 112.606 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.09 -45.44 61.49 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.747 0.308 . . . . 74.32 111.491 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -57.0 -49.33 76.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.677 0.275 . . . . 73.15 110.906 175.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 37' ' ' THR . 77.1 mt -47.85 -47.9 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.223 0.535 . . . . 53.12 111.76 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 46.6 t -68.49 -37.89 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.918 -0.583 . . . . 63.21 111.929 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -93.73 2.39 56.28 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.186 0.809 . . . . 64.01 113.186 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 33.5 mt -80.45 141.28 52.67 Favored Pre-proline 0 N--CA 1.471 0.612 0 CA-C-O 120.997 0.427 . . . . 65.34 111.98 174.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.4 159.09 55.01 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.508 2.138 . . . . 73.11 111.24 170.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.87 -33.49 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.04 0.447 . . . . 75.53 111.747 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.0 -63.23 1.21 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.263 -0.426 . . . . 74.13 112.067 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.12 -30.75 70.84 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.081 0.4 . . . . 62.11 112.081 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.84 -54.23 45.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.812 0.339 . . . . 75.12 111.754 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.46 -33.27 67.78 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.965 0.412 . . . . 63.12 111.543 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.16 -39.39 63.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.472 -0.331 . . . . 74.21 111.272 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.5 tp -52.65 -47.29 67.21 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.006 0.431 . . . . 74.23 111.172 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -55.2 -47.26 75.53 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.955 -0.566 . . . . 63.5 111.798 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.88 -15.73 61.59 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.42 0.526 . . . . 42.44 112.42 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -83.81 -10.95 57.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.238 0.459 . . . . 75.33 112.238 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -118.89 152.36 51.55 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 120.847 0.356 . . . . 74.11 111.841 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.81 46.91 2.03 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 122.956 2.438 . . . . 64.12 113.155 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 80.9 mt -76.35 149.4 36.99 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.144 0.497 . . . . 61.11 111.92 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.0 p -90.18 161.77 15.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.18 -0.464 . . . . 54.21 111.122 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -53.61 -22.78 9.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.018 0.377 . . . . 72.54 112.018 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.7 m -80.69 -38.21 29.35 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.189 0.518 . . . . 74.41 110.942 174.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.0 mt-30 -69.86 -43.26 72.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.325 0.491 . . . . 75.44 112.325 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.21 -34.4 70.35 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.033 0.444 . . . . 72.05 110.892 175.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -50.06 67.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.28 -0.418 . . . . 24.33 110.943 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 31' ' ' MET . 52.1 tp -57.81 -46.08 85.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.45 -0.341 . . . . 71.31 111.787 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 61' ' ' GLN . 93.2 t -56.77 -47.59 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.172 0.511 . . . . 35.31 111.348 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -71.39 -25.5 62.38 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.344 -0.389 . . . . 72.33 111.621 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.51 -56.86 6.16 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.885 0.374 . . . . 71.44 110.656 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.53 -36.77 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.234 -0.439 . . . . 73.01 111.007 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 36.7 ttt-85 -59.22 -41.92 89.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.067 0.46 . . . . 72.42 110.674 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.1 -48.13 74.77 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.176 0.512 . . . . 52.55 110.158 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -49.21 -34.44 14.8 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.655 -0.702 . . . . 73.32 112.112 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.03 -49.04 4.16 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.379 -0.439 . . . . 71.13 113.294 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -65.06 -21.51 66.83 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 122.316 -0.52 . . . . 71.05 111.999 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -60.23 -38.44 83.43 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.096 0.474 . . . . 65.24 110.805 170.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -70.35 -43.55 69.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.159 -0.473 . . . . 55.05 110.743 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.2 -43.82 98.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.153 -0.476 . . . . 60.12 111.602 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 81' ' ' TYR . . . -64.11 -25.44 68.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.351 0.5 . . . . 74.15 112.351 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.42 74.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.336 0.588 . . . . 74.34 110.851 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -77.36 -55.46 5.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.819 -0.628 . . . . 74.51 111.205 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -105.67 87.05 2.5 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.132 0.492 . . . . 72.12 111.195 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 54.8 t80 -122.62 135.56 54.64 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.937 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -162.97 133.91 4.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.916 0.389 . . . . 73.1 111.259 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.66 138.19 31.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.778 0.323 . . . . 73.15 111.148 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 84' ' ' ARG . 16.3 ptt180 -159.75 142.16 13.53 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.837 0.351 . . . . 74.13 111.303 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -74.13 122.02 22.08 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.39 -0.368 . . . . 62.24 110.832 176.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.2 mm? -64.97 106.74 1.31 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.883 0.373 . . . . 75.22 111.464 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -59.21 119.91 8.24 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.282 0.563 . . . . 73.33 112.075 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -86.94 91.56 8.73 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.934 0.397 . . . . 63.41 110.61 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.56 -61.41 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.381 -0.372 . . . . 73.54 111.442 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.01 144.28 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 120.783 0.325 . . . . 71.34 111.27 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.659 -0.686 . . . . 75.33 111.853 -177.634 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 2' ' ' GLY . 1.1 tmt? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.59 0.233 . . . . 52.45 110.994 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.44 ' N ' ' SD ' ' A' ' 1' ' ' MET . . . 92.59 141.01 10.06 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.312 -0.47 . . . . 60.12 113.732 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -82.84 122.86 28.77 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 122.662 -0.317 . . . . 72.41 110.542 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -59.38 -67.25 0.39 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.533 0.206 . . . . 64.45 111.131 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.6 t60 56.22 35.89 26.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.129 0.49 . . . . 71.24 111.74 172.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -76.03 117.84 18.16 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.95 0.352 . . . . 55.2 111.95 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -71.74 113.23 8.56 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.363 -0.38 . . . . 73.05 110.835 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -100.5 -43.62 6.14 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.619 0.229 . . . . 61.01 111.619 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -155.84 177.65 11.16 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.547 0.689 . . . . 61.52 112.714 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -152.54 122.91 7.21 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.468 -0.787 . . . . 71.34 110.345 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptm -95.57 142.66 27.64 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.092 0.472 . . . . 61.02 112.257 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.1 168.06 19.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.926 -0.579 . . . . 73.12 110.52 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.78 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 9.4 mmpt? -114.39 97.91 47.4 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 112.07 0.396 . . . . 72.13 112.07 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -93.66 143.21 1.89 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.451 2.767 . . . . 65.3 112.744 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 t -165.33 161.27 18.95 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.949 0.404 . . . . 52.35 111.607 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.74 106.38 18.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.331 -0.395 . . . . 43.25 110.964 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -67.29 100.42 0.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.144 0.497 . . . . 73.23 110.819 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.61 -177.63 46.67 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.989 -0.624 . . . . 65.11 113.428 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -169.25 -36.7 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.392 0.615 . . . . 75.25 109.85 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -170.15 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.975 -0.557 . . . . 60.24 111.571 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.3 -165.7 12.32 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.961 -0.638 . . . . 62.21 113.594 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 50.9 m -66.48 155.65 36.98 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.908 0.385 . . . . 73.44 111.654 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -60.13 -25.34 65.41 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.048 0.388 . . . . 71.43 112.048 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -43.01 70.63 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.514 0.197 . . . . 74.24 111.35 173.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 22' ' ' SER . 26.9 mm-40 -50.34 -41.62 51.74 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.067 0.461 . . . . 53.41 111.202 172.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -61.81 -27.7 68.94 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.403 0.52 . . . . 73.42 112.403 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HB3' HD21 ' A' ' 64' ' ' LEU . 7.8 mpt_? -69.59 -44.67 70.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.104 0.478 . . . . 74.01 110.41 172.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -60.88 3.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.951 -0.568 . . . . 32.41 112.122 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -61.72 -26.05 67.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.276 0.472 . . . . 75.42 112.276 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -70.59 -37.88 73.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 62.11 111.757 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.533 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.8 mmm -101.07 23.01 11.39 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.138 0.422 . . . . 64.45 112.138 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.57 36.6 19.8 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.352 0.501 . . . . 75.45 112.352 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -83.92 105.72 6.34 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 116.546 -0.297 . . . . 75.31 110.496 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.62 14.99 1.7 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.55 2.167 . . . . 70.53 114.616 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -132.62 143.42 48.65 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 122.015 -0.428 . . . . 74.5 111.625 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.73 150.97 79.36 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.112 2.541 . . . . 64.03 114.048 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.8 p -61.45 -28.81 69.54 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.3 -0.409 . . . . 62.33 111.714 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.35 -53.08 39.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 74.41 110.903 173.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -55.79 -43.81 77.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.978 -0.555 . . . . 74.24 111.267 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.74 -44.89 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 121.132 0.492 . . . . 73.03 111.935 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.19 -31.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 112.28 0.474 . . . . 74.23 112.28 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -77.77 -46.27 22.17 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.325 0.491 . . . . 71.03 112.325 -176.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.9 137.05 97.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.029 0.442 . . . . 73.22 112.188 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.99 171.77 15.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.519 2.146 . . . . 65.21 111.935 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.09 -30.93 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.944 0.402 . . . . 70.2 111.133 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.98 -62.55 1.58 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.964 -0.562 . . . . 72.24 111.283 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -70.25 -30.65 67.76 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.413 -0.358 . . . . 71.32 111.755 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -58.3 -48.74 79.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 73.31 111.373 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.31 -42.63 87.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.213 0.53 . . . . 70.44 111.399 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.0 mm-40 -72.05 -33.53 68.04 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.074 -0.512 . . . . 61.34 111.444 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.5 tp -59.45 -52.54 65.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.205 0.526 . . . . 71.54 110.49 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.431 HD21 HG11 ' A' ' 65' ' ' VAL . 84.2 mt -63.64 -19.25 64.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.613 -0.722 . . . . 75.13 111.738 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.67 -32.12 18.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.888 0.329 . . . . 72.0 111.888 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 88.5 mtt-85 -72.01 -42.48 66.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.002 0.429 . . . . 61.13 111.491 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -86.19 143.37 36.9 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.391 -0.368 . . . . 72.12 110.922 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.87 43.4 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.912 2.408 . . . . 65.13 113.197 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.51 148.14 48.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.171 0.51 . . . . 64.51 111.744 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.1 p -92.1 161.76 14.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.078 -0.51 . . . . 64.12 110.353 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -47.77 -42.7 26.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.853 0.359 . . . . 73.14 111.957 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 m -57.39 -35.48 70.06 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.077 0.465 . . . . 74.04 111.412 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.5 mt-30 -77.36 -46.93 21.25 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.659 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.4 -46.13 80.28 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.852 0.358 . . . . 71.4 111.282 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.44 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.279 -0.418 . . . . 73.34 111.686 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.533 HD22 ' HG3' ' A' ' 31' ' ' MET . 57.8 tp -64.5 -46.63 82.12 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.727 0.298 . . . . 63.03 111.566 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -54.26 -37.01 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.083 0.468 . . . . 72.54 111.058 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -62.88 -47.62 82.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.323 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.79 -42.26 97.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.23 111.134 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.27 -45.55 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.306 -0.406 . . . . 74.32 111.326 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.6 ttt85 -60.42 -45.31 94.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.794 0.33 . . . . 72.45 111.722 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.11 -54.43 41.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.384 -0.371 . . . . 74.15 111.415 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 71' ' ' ARG . 44.2 mtp180 -69.68 -33.01 71.96 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.011 0.374 . . . . 74.52 112.011 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -49.29 52.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 121.203 -0.522 . . . . 73.03 113.137 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' HG12 ' A' ' 76' ' ' VAL . 32.0 ttmt -74.53 -20.85 59.81 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 122.482 -0.422 . . . . 72.04 111.417 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.55 -34.31 61.62 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.006 0.431 . . . . 74.11 110.906 174.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.11 -42.94 99.44 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.852 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 11.7 p -78.47 -29.83 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.033 -0.417 . . . . 75.12 111.126 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.11 -8.62 54.68 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.062 0.393 . . . . 64.12 112.062 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.78 -28.35 69.39 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.166 0.432 . . . . 52.12 112.166 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 29.3 pt20 -70.89 -45.76 63.77 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.004 0.43 . . . . 71.44 111.327 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -86.67 11.02 13.91 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.281 0.563 . . . . 73.32 111.374 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.91 -26.23 64.06 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.914 -0.585 . . . . 71.31 111.008 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 82' ' ' ARG . 23.2 mmt180 -75.95 105.58 7.06 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.228 0.537 . . . . 75.15 111.708 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -150.07 -172.96 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.61 -0.723 . . . . 73.25 110.202 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -66.34 125.81 26.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.912 0.387 . . . . 74.45 111.384 175.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -75.37 85.25 2.51 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.089 0.471 . . . . 62.51 110.467 175.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.63 159.18 32.52 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.464 -0.334 . . . . 62.33 110.734 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.7 84.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.089 0.471 . . . . 74.33 111.502 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 88' ' ' THR . 22.6 m -90.97 20.54 4.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.418 0.628 . . . . 62.21 110.453 175.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.1 mt 72.14 -33.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.294 0.638 . . . . 73.05 112.609 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.4 m -61.48 143.65 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.241 0.543 . . . . 73.52 112.422 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--O 1.253 1.248 0 CA-C-N 115.91 -0.586 . . . . 50.53 112.157 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.51 0.195 . . . . 74.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.23 139.49 47.59 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.304 -0.474 . . . . 75.31 113.595 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.01 137.28 56.99 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.544 0.572 . . . . 65.03 112.544 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 62.93 18.0 10.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.082 0.771 . . . . 74.44 113.082 172.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.15 107.7 15.89 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.79 -0.569 . . . . 61.53 111.529 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -69.12 84.71 0.35 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.35 0.595 . . . . 75.33 112.128 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -144.13 116.22 8.39 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.133 0.492 . . . . 62.45 111.753 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -151.08 131.36 13.62 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.821 -0.627 . . . . 43.44 110.164 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -80.53 125.49 30.05 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.23 0.456 . . . . 64.33 112.23 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.16 120.89 9.21 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.379 -0.373 . . . . 71.33 111.556 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.4 mmt -80.47 117.43 21.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.674 0.273 . . . . 73.33 111.077 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.13 104.59 8.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 112.92 0.711 . . . . 74.23 112.92 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 56.17 98.53 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 113.854 1.057 . . . . 72.53 113.854 173.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.08 116.13 2.73 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.219 2.612 . . . . 73.33 112.341 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.9 t -126.69 171.73 10.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.757 0.313 . . . . 72.25 111.615 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.66 23.12 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.319 0.489 . . . . 64.32 112.319 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -100.09 -13.62 18.93 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.402 -0.363 . . . . 75.25 111.776 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.56 137.02 6.34 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 120.726 -0.749 . . . . 64.34 114.844 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 8.3 tp10 -103.88 -9.82 18.66 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.06 0.544 . . . . 75.41 110.312 173.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' A' ' 25' ' ' GLU . . . 76.09 138.66 0.06 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.678 0.791 . . . . 62.42 111.706 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.49 -51.51 1.21 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 121.171 -0.537 . . . . 22.13 113.906 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.428 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 14.3 m -62.68 143.8 57.0 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 122.615 -0.344 . . . . 71.32 111.356 -177.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtt180 -60.27 -37.29 79.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.862 0.363 . . . . 62.5 111.226 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.327 -0.397 . . . . 40.03 111.307 175.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.61 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 45.0 mt-10 -53.8 -48.69 69.57 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.987 0.422 . . . . 60.44 111.297 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 54.8 mmm-85 -57.8 -29.28 64.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.992 -0.549 . . . . 70.03 111.706 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HB3' HD11 ' A' ' 64' ' ' LEU . 90.9 mtt180 -78.24 -42.19 31.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.193 0.52 . . . . 63.3 110.822 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.37 61.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.891 -0.595 . . . . 53.13 111.867 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.55 -22.75 66.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.93 0.395 . . . . 74.45 111.933 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.17 63.53 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.918 0.389 . . . . 55.54 111.688 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.3 mmm -106.21 14.02 28.13 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 111.969 0.359 . . . . 64.22 111.969 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mttp 60.28 38.66 19.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.109 0.781 . . . . 74.14 113.109 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.7 mm -65.27 115.5 22.12 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 120.525 0.202 . . . . 71.21 110.878 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -86.25 21.89 1.02 Allowed 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.06 2.507 . . . . 64.41 114.568 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 33.6 p90 -147.08 154.36 46.39 Favored Pre-proline 0 N--CA 1.472 0.635 0 O-C-N 122.035 -0.416 . . . . 64.04 111.723 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 22.4 Cg_endo -59.63 137.38 76.97 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.225 2.617 . . . . 45.4 114.482 -173.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 -40.25 84.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.779 -0.646 . . . . 71.02 111.862 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.72 -36.16 66.91 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.965 0.412 . . . . 74.32 111.432 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.37 -41.34 98.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.776 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.55 -35.73 60.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.358 0.599 . . . . 54.33 111.212 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.71 -40.82 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 115.762 -0.654 . . . . 43.41 112.308 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -89.03 -17.6 29.03 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.35 0.87 . . . . 61.42 113.35 -170.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.47 136.3 45.89 Favored Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 121.909 -0.494 . . . . 74.1 111.144 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.3 157.34 62.25 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.017 1.811 . . . . 64.52 112.048 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.17 -32.53 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.112 0.482 . . . . 51.32 112.128 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.18 -55.93 28.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.169 -0.468 . . . . 72.31 111.83 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -30.17 64.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.392 -0.367 . . . . 73.32 111.312 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 65' ' ' VAL . 89.5 t80 -53.26 -45.37 68.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.921 0.391 . . . . 71.43 111.431 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.56 -40.93 84.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.23 -0.441 . . . . 71.23 111.469 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 47.3 mt-10 -68.41 -40.15 81.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.931 0.396 . . . . 72.11 111.202 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.25 -46.9 76.05 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.103 0.478 . . . . 51.55 111.144 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.46 -31.09 71.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.968 -0.56 . . . . 64.54 112.067 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.34 -20.69 40.11 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.323 0.49 . . . . 72.34 112.323 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -83.92 -39.9 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.374 0.509 . . . . 63.03 112.374 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -95.64 131.6 29.08 Favored Pre-proline 0 N--CA 1.472 0.632 0 N-CA-C 112.34 0.496 . . . . 74.04 112.34 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.43 90.16 0.22 Allowed 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.654 2.236 . . . . 71.3 112.562 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 85.6 mt -114.04 148.86 36.31 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.068 0.461 . . . . 63.32 111.851 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.1 p -84.68 159.77 20.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.369 -0.378 . . . . 64.2 110.212 171.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -49.81 -37.7 31.46 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.974 0.416 . . . . 71.42 111.746 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 m -63.34 -37.35 86.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.217 -0.447 . . . . 62.34 111.479 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.9 mt-30 -72.6 -44.6 61.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.563 -0.29 . . . . 74.42 111.669 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.27 -42.99 74.27 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.628 0.251 . . . . 51.21 111.033 176.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.71 -48.44 66.63 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.876 0.37 . . . . 52.44 111.594 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 27' ' ' ARG . 68.6 tp -61.58 -49.83 75.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.551 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -55.66 -40.78 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.238 0.542 . . . . 62.03 111.244 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -61.71 -45.49 93.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.056 -0.52 . . . . 73.42 111.34 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.47 -46.14 87.55 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.404 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.0 -44.09 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.307 -0.406 . . . . 62.11 111.527 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -54.89 -50.91 67.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.938 0.399 . . . . 72.22 111.006 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -62.08 -49.84 74.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.211 -0.449 . . . . 74.44 111.747 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.67 -53.2 59.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.025 0.44 . . . . 73.43 111.313 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.17 96.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.123 -0.489 . . . . 72.43 113.407 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 1.7 tpmt? -61.3 -33.05 72.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.793 0.33 . . . . 75.12 111.616 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.19 -15.79 37.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.045 0.387 . . . . 74.24 112.045 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -62.81 -31.31 72.28 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.339 0.59 . . . . 54.05 110.721 173.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.43 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 48.6 t -81.71 -24.57 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.915 -0.584 . . . . 75.33 111.46 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.22 30.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.834 0.679 . . . . 72.11 112.834 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.23 94.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.992 0.425 . . . . 22.14 111.895 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 3.4 pt20 -84.6 -12.71 53.52 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.792 0.329 . . . . 60.11 111.528 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -104.19 5.62 35.04 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.029 0.442 . . . . 72.25 110.79 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -51.54 -42.94 62.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.181 0.808 . . . . 73.12 113.181 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -68.06 86.36 0.25 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.482 0.658 . . . . 70.22 112.345 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -101.64 113.72 27.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.728 -0.669 . . . . 74.24 110.286 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 84' ' ' ARG . 7.7 tpt180 -126.54 64.87 1.26 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.407 0.622 . . . . 63.55 111.299 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -140.5 101.02 4.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.029 -0.532 . . . . 74.02 111.395 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 tp -93.39 77.17 4.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.373 0.606 . . . . 70.52 110.111 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -130.18 101.0 5.6 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.966 -0.561 . . . . 75.24 110.469 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 p 49.05 29.11 2.3 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.364 0.666 . . . . 73.23 112.687 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.1 mm -64.13 -53.68 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 120.882 0.372 . . . . 64.13 111.945 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.97 95.11 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 121.092 0.472 . . . . 72.43 111.434 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--O 1.254 1.323 0 CA-C-O 118.407 -0.806 . . . . 73.0 111.204 178.111 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 120.72 0.295 . . . . 53.12 111.303 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.19 147.32 15.25 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 121.149 -0.548 . . . . 52.31 112.785 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.57 105.94 14.65 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.224 -0.574 . . . . 74.42 111.647 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -73.16 -175.92 1.99 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.803 0.335 . . . . 61.13 111.097 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -86.44 143.21 27.9 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.985 0.422 . . . . 72.22 111.73 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -137.18 115.09 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.269 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -97.55 136.66 37.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.045 0.45 . . . . 74.33 112.064 -177.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -134.22 152.93 52.08 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.96 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -65.33 142.24 58.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.08 0.466 . . . . 70.21 111.83 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.41 125.04 22.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.14 -0.482 . . . . 50.43 111.492 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtt 68.74 21.08 7.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.002 0.741 . . . . 72.13 113.002 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.95 25.28 0.37 Allowed 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.016 0.436 . . . . 52.32 111.499 174.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -121.97 93.01 48.8 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 122.777 0.431 . . . . 72.44 110.904 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.32 -170.93 0.36 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.029 2.486 . . . . 52.12 113.335 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.418 HG23 HH21 ' A' ' 17' ' ' ARG . 3.6 t -128.93 129.71 45.82 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.007 0.432 . . . . 75.15 111.646 176.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.2 151.19 22.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.268 -0.424 . . . . 53.03 112.008 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.418 HH21 HG23 ' A' ' 15' ' ' THR . 3.2 ptp180 -153.34 164.47 38.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.452 -0.34 . . . . 74.32 111.245 -177.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.91 -127.07 3.75 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.446 -0.407 . . . . 61.11 112.494 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 67.41 95.0 0.06 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.002 0.429 . . . . 72.2 112.13 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.0 2.03 37.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 62.01 111.49 174.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.4 70.67 1.05 Allowed Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.333 -0.46 . . . . 75.23 113.251 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.514 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 44.8 t -153.32 179.14 9.03 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.493 0.664 . . . . 71.44 111.874 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -80.53 -40.0 26.8 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.778 -0.646 . . . . 74.1 111.134 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.77 -32.78 72.77 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.976 -0.556 . . . . 70.21 111.987 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.514 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 19.5 mm-40 -48.54 -38.69 21.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.51 0.559 . . . . 55.03 112.51 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -52.21 -36.01 50.96 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.924 0.713 . . . . 70.14 112.924 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -37.43 47.39 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.749 0.309 . . . . 74.11 111.439 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -50.94 69.21 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.065 0.46 . . . . 62.34 111.781 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.27 -23.14 61.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.495 0.554 . . . . 73.14 112.495 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.5 33.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.878 0.371 . . . . 54.42 111.983 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.546 ' HG3' HD22 ' A' ' 64' ' ' LEU . 94.7 mmm -108.4 9.84 27.59 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 111.889 0.329 . . . . 65.3 111.889 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.46 72.19 0.54 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.179 0.514 . . . . 73.45 112.359 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 105.95 45.68 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.528 -0.305 . . . . 63.02 110.494 174.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.13 20.61 0.64 Allowed 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.833 2.355 . . . . 53.23 114.273 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -146.67 139.5 14.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-O 120.88 0.371 . . . . 61.42 111.161 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -62.36 141.53 87.61 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.89 2.393 . . . . 73.3 113.756 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.421 ' HA ' HD12 ' A' ' 40' ' ' ILE . 58.6 p -53.86 -33.62 56.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.158 -0.474 . . . . 73.33 112.014 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.42 -48.45 62.67 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.876 0.37 . . . . 74.43 111.406 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.85 -45.73 91.5 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.937 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 37' ' ' THR . 68.6 mt -52.45 -36.24 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.143 -0.48 . . . . 71.14 112.269 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.63 -46.22 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.674 0.62 . . . . 65.34 112.674 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -78.29 -13.88 59.66 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.606 0.965 . . . . 71.43 113.606 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 43' ' ' LEU . 21.4 mt -65.48 145.63 99.04 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-O 121.055 0.455 . . . . 70.42 111.963 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.25 146.84 82.39 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.172 1.915 . . . . 72.34 111.089 168.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -49.19 -38.69 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 112.972 0.73 . . . . 63.1 112.972 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.12 -52.79 53.22 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.016 -0.428 . . . . 62.43 111.99 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.38 -23.85 67.59 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.752 0.31 . . . . 52.15 111.489 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -65.86 -50.61 63.92 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.891 0.377 . . . . 73.13 110.741 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.16 -36.69 82.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.768 0.318 . . . . 63.41 111.113 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.7 mm-40 -60.65 -46.97 88.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 74.01 110.849 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.5 tp -49.83 -52.75 30.02 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.571 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.79 -25.26 66.38 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.114 -0.493 . . . . 73.01 111.995 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.92 -13.83 43.64 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 111.914 0.339 . . . . 72.2 111.914 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 21.5 mtp180 -94.25 -48.16 6.3 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 111.901 0.334 . . . . 71.52 111.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -78.83 136.73 58.32 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.787 0.292 . . . . 40.23 111.787 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.89 47.61 2.39 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.019 2.48 . . . . 64.42 113.031 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -72.0 152.79 42.2 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.006 0.431 . . . . 64.24 111.638 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -81.37 159.64 24.31 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.361 -0.381 . . . . 64.44 110.97 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -49.24 -48.25 45.84 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.541 0.571 . . . . 74.44 112.541 -176.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -54.12 -33.59 58.17 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.761 0.315 . . . . 53.41 111.763 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.5 mt-30 -75.99 -46.16 30.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.377 -0.374 . . . . 73.22 111.685 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.52 -47.01 85.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.817 0.342 . . . . 71.31 110.954 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.91 -40.16 72.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.998 0.427 . . . . 71.42 111.31 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.2 tp -62.83 -56.55 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.255 177.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 61' ' ' GLN . 79.1 t -53.62 -44.31 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 120.919 0.39 . . . . 54.43 111.847 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -58.68 -35.73 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.361 -0.381 . . . . 71.34 111.576 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.3 -30.08 30.76 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.914 0.388 . . . . 60.13 111.345 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 64' ' ' LEU . 65.0 mt -62.35 -42.39 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 75.15 110.955 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -61.66 -34.96 76.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.945 0.402 . . . . 71.32 110.818 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -61.95 -59.91 4.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 70.41 111.441 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -66.92 -41.01 87.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.459 . . . . 75.22 111.272 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.39 97.48 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.829 -0.623 . . . . 51.52 113.209 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HA ' HG12 ' A' ' 76' ' ' VAL . 36.7 ttpt -79.58 -25.59 41.53 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.043 -0.68 . . . . 75.52 111.332 177.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.89 -48.18 77.66 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.209 0.528 . . . . 72.2 110.884 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.83 -28.32 68.9 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.441 0.534 . . . . 52.55 112.441 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 12.9 p -95.84 -42.77 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.863 0.69 . . . . 65.33 112.863 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . . . -71.91 -4.85 30.6 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.799 0.666 . . . . 73.21 112.799 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.14 52.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.244 0.461 . . . . 75.15 112.244 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 4.1 pp0? -78.16 -33.51 50.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.529 0.566 . . . . 75.33 112.529 -176.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.465 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 4.1 p-10 -88.69 13.38 12.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.615 0.598 . . . . 64.51 112.615 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -89.54 154.54 19.93 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.64 0.257 . . . . 72.43 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -79.62 -66.12 0.91 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.16 0.43 . . . . 72.35 112.16 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.05 115.34 11.16 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.32 0.581 . . . . 74.31 111.297 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.513 HH12 ' HA ' ' A' ' 79' ' ' GLN . 18.1 tpp180 -93.94 147.44 23.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.823 -0.626 . . . . 74.41 112.188 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -68.63 80.17 0.28 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.104 0.478 . . . . 74.24 109.73 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 pp -77.53 172.21 13.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.369 0.604 . . . . 60.41 112.621 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.38 177.1 8.13 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.843 -0.617 . . . . 53.11 111.472 -175.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 t -156.18 115.95 3.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.154 0.502 . . . . 75.23 110.954 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 40.1 pt -79.95 156.87 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.001 0.429 . . . . 71.03 111.833 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.4 p -74.15 163.13 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 116.386 -0.37 . . . . 70.11 111.057 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.257 1.466 0 CA-C-O 119.047 -0.502 . . . . 53.15 111.449 179.5 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.366 0.126 . . . . 41.15 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.77 173.59 32.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.594 -0.812 . . . . 71.42 113.685 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -134.9 169.02 18.03 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.83 0.452 . . . . 73.12 110.75 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -92.06 133.61 35.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.897 0.379 . . . . 75.14 110.974 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -92.94 141.28 28.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.258 0.836 . . . . 71.55 113.258 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -123.0 144.71 49.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.479 -0.782 . . . . 71.34 109.359 169.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -122.58 -10.85 8.33 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.243 0.831 . . . . 62.14 113.243 -171.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -81.58 90.9 6.31 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.773 -0.58 . . . . 75.13 112.476 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -166.95 127.2 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.965 0.412 . . . . 73.43 111.365 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -122.4 140.24 52.93 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.038 0.447 . . . . 73.31 112.078 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.1 ttp -78.78 56.38 1.88 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 121.467 0.651 . . . . 63.52 110.242 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.63 10.34 33.14 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.621 0.6 . . . . 64.54 112.621 -175.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -97.85 135.31 21.57 Favored Pre-proline 0 CA--C 1.541 0.601 0 O-C-N 122.273 -0.267 . . . . 61.14 110.538 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.34 164.03 0.22 Allowed 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.117 2.545 . . . . 60.45 114.189 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -49.68 129.4 19.55 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.147 0.795 . . . . 54.42 113.147 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.4 -23.66 54.05 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.99 -0.55 . . . . 54.31 111.682 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 4.7 mpt_? -95.51 92.4 6.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.838 0.351 . . . . 74.31 110.519 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.53 49.68 0.29 Allowed Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.971 -0.633 . . . . 70.42 112.996 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -86.56 104.94 16.48 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 122.417 -0.461 . . . . 72.11 111.192 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.49 176.85 8.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 54.33 111.506 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.58 155.48 30.01 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 121.014 -0.612 . . . . 73.42 113.357 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -75.41 -177.74 3.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.032 0.444 . . . . 73.21 111.705 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -56.69 -55.79 29.67 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.926 0.393 . . . . 70.31 111.299 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.12 -34.28 74.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.082 -0.508 . . . . 62.14 111.573 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.77 -48.64 76.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.462 -0.336 . . . . 62.03 111.558 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -60.98 -28.58 69.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.854 0.359 . . . . 75.54 111.456 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.541 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 3.1 mmp_? -71.43 -40.23 70.54 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.07 0.462 . . . . 74.41 110.594 173.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.522 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -61.99 -55.04 33.36 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.867 -0.606 . . . . 62.53 111.615 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.15 -21.03 65.83 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.219 0.452 . . . . 63.33 112.219 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.43 97.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.169 0.509 . . . . 71.51 110.842 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.3 mmm -92.65 9.11 36.22 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.099 -0.501 . . . . 65.22 110.809 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 54.66 65.64 1.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.616 -0.72 . . . . 53.11 112.561 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.522 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.4 mm -94.63 113.42 61.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.519 -0.764 . . . . 73.43 110.562 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.06 30.19 0.54 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.814 2.343 . . . . 71.24 114.527 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -152.27 151.67 27.92 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 111.825 0.306 . . . . 72.21 111.825 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -66.84 142.8 64.34 Favored 'Trans proline' 0 N--CA 1.484 0.956 0 C-N-CA 123.127 2.552 . . . . 73.04 114.229 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 79.6 p -65.88 -43.08 89.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.068 -0.514 . . . . 72.42 112.17 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 -40.39 76.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.327 0.491 . . . . 71.15 112.327 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.0 ttmt -60.46 -46.57 89.57 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.225 -0.297 . . . . 73.32 111.167 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 65' ' ' VAL . 64.7 mt -49.39 -41.15 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.437 0.637 . . . . 53.34 111.336 177.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG21 ' HA3' ' A' ' 72' ' ' GLY . 58.7 t -67.98 -33.88 63.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.468 -0.787 . . . . 61.55 112.454 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -93.65 -5.84 47.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.805 0.668 . . . . 73.35 112.805 -175.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 82.6 mt -80.24 142.34 54.81 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 111.672 0.249 . . . . 71.42 111.672 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.05 154.73 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.355 2.036 . . . . 60.0 111.415 172.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.3 -34.41 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 112.327 0.492 . . . . 55.31 112.327 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.54 -62.46 1.71 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.105 0.478 . . . . 63.45 111.446 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.27 -24.93 67.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.369 -0.378 . . . . 72.42 111.912 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.47 -47.96 79.63 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.132 0.491 . . . . 64.33 110.393 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.8 -45.81 92.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.992 -0.549 . . . . 71.14 110.87 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 28.1 mm-40 -60.07 -40.2 88.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.304 -0.407 . . . . 71.25 111.326 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.18 -51.46 69.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.95 0.405 . . . . 74.22 111.254 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' ' 62' ' ' LEU . 93.8 mt -65.32 -28.81 69.57 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.42 34.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.936 0.347 . . . . 72.23 111.936 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -65.55 -54.12 32.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.804 0.335 . . . . 73.12 111.354 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.25 135.67 47.21 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 116.456 -0.338 . . . . 64.02 111.161 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.32 50.52 2.3 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.753 2.302 . . . . 63.12 113.392 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 62.7 mt -75.35 140.49 43.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.674 0.274 . . . . 61.3 111.19 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.0 p -78.0 157.26 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.24 -0.287 . . . . 71.04 110.306 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.23 -34.5 10.3 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.539 0.57 . . . . 54.3 112.539 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -60.72 -43.92 97.26 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.026 0.441 . . . . 54.4 111.394 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.5 mt-30 -67.17 -42.76 83.71 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.322 -0.399 . . . . 54.31 111.183 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.3 mp -59.09 -42.66 90.97 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.624 0.25 . . . . 75.32 110.884 175.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.36 65.23 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.89 0.376 . . . . 34.01 111.606 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 68' ' ' ILE . 64.7 tp -69.42 -51.7 33.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.463 -0.335 . . . . 72.32 111.142 175.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 40' ' ' ILE . 61.8 t -55.11 -44.67 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 120.935 0.398 . . . . 72.21 111.792 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 39.7 mtp-105 -57.19 -42.15 80.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.129 0.49 . . . . 72.21 110.983 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.39 -41.46 89.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.974 -0.557 . . . . 75.23 110.855 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 37' ' ' THR . 81.7 mt -56.11 -43.63 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.917 0.389 . . . . 72.3 111.471 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 69' ' ' ARG . 5.9 tmm_? -58.45 -40.31 82.28 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.361 -0.381 . . . . 63.33 110.81 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -66.1 -41.94 89.92 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.784 0.326 . . . . 51.1 111.051 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -53.08 -51.21 62.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.861 0.465 . . . . 70.42 112.009 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.491 ' HA3' HG21 ' A' ' 41' ' ' VAL . . . -75.59 -44.49 20.77 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.126 -0.559 . . . . 63.14 113.541 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.16 -23.11 67.28 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.459 -0.436 . . . . 62.45 111.263 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.34 -43.15 70.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.375 -0.375 . . . . 72.44 110.976 173.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.66 -39.81 81.68 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.205 0.526 . . . . 54.52 110.697 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.7 t -69.5 -40.16 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.937 -0.574 . . . . 74.21 110.923 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.72 65.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.927 0.394 . . . . 63.31 111.578 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.68 -44.04 35.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.947 0.403 . . . . 72.3 111.753 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.97 -41.7 61.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.991 0.367 . . . . 71.25 111.991 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -97.81 27.82 4.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.149 0.426 . . . . 64.24 112.149 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -73.8 -63.47 1.2 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.903 0.383 . . . . 62.14 111.661 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -83.22 104.41 13.37 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.446 -0.343 . . . . 61.04 110.102 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 2.2 tmmt? -124.73 93.26 3.84 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.698 0.999 . . . . 70.0 113.698 -168.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 12.5 mmp_? 51.59 109.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.607 1.706 . . . . 60.42 115.607 162.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 85' ' ' LYS . 9.2 mmpt? -119.24 152.68 36.24 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.895 -0.593 . . . . 63.21 110.263 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 86' ' ' LEU . 2.4 pt? -157.47 -172.39 3.96 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.02 0.378 . . . . 73.11 112.02 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.82 97.21 0.21 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.035 0.445 . . . . 72.33 110.553 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.4 p -91.54 135.76 33.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.107 -0.497 . . . . 54.03 112.022 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.87 114.87 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.341 -0.391 . . . . 73.42 110.793 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.0 m -125.37 177.05 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.985 0.421 . . . . 54.34 111.82 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.827 -0.606 . . . . 63.24 111.028 178.747 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 112.341 0.497 . . . . 71.34 112.341 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.26 95.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 115.262 0.865 . . . . 55.31 115.262 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -116.26 93.73 4.35 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.31 -0.523 . . . . 74.21 110.534 171.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -74.65 112.91 11.32 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.19 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -77.49 135.91 38.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.973 0.416 . . . . 74.52 111.453 -175.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 81.5 t60 -96.24 175.83 6.3 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.412 -0.358 . . . . 73.31 111.375 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 38.4 m80 80.39 -55.0 0.35 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.486 0.921 . . . . 74.12 113.486 172.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -55.15 104.64 0.13 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.243 0.544 . . . . 74.42 111.693 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 t -173.33 152.26 2.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.81 -0.632 . . . . 74.44 111.353 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -125.73 163.57 22.55 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.956 0.407 . . . . 71.54 110.774 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.3 ptp -104.89 38.15 1.99 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.045 0.45 . . . . 73.34 111.202 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -48.35 120.84 3.9 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.626 -0.715 . . . . 71.22 112.631 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -134.29 83.86 43.09 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.939 -0.573 . . . . 75.34 111.156 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -96.78 122.96 0.22 Allowed 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.4 2.733 . . . . 75.51 113.317 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.2 m -107.91 113.63 26.98 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.78 0.324 . . . . 73.53 111.02 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.4 137.75 34.25 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.443 -0.344 . . . . 65.31 111.335 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -125.21 150.43 47.01 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.036 0.446 . . . . 70.24 112.103 -177.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.36 77.14 0.04 OUTLIER Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.047 -0.597 . . . . 41.11 113.091 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.56 110.69 4.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.156 0.503 . . . . 71.44 111.498 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.8 130.42 36.77 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.33 -0.396 . . . . 64.11 111.85 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.61 -132.04 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 121.215 -0.517 . . . . 64.43 113.095 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 m -71.74 179.76 2.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.02 0.438 . . . . 51.23 111.928 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -53.21 -42.4 66.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.929 0.344 . . . . 64.42 111.929 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.25 -50.34 68.37 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.971 0.36 . . . . 73.05 111.971 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.07 -30.54 59.86 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.588 0.233 . . . . 60.44 111.57 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -58.86 -32.03 69.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.836 0.309 . . . . 71.02 111.836 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.511 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.2 mpt_? -74.33 -40.74 62.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.978 0.418 . . . . 71.31 110.398 174.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.12 82.32 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.97 -0.559 . . . . 54.12 111.628 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.13 -23.45 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.133 0.42 . . . . 74.13 112.133 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.7 88.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.424 . . . . 64.22 110.841 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.411 ' HG3' HD22 ' A' ' 64' ' ' LEU . 94.4 mmm -92.66 -2.98 55.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.252 -0.431 . . . . 75.55 111.403 175.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 61.73 82.04 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.605 0.717 . . . . 70.01 112.414 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.457 HG22 ' H ' ' A' ' 35' ' ' PHE . 48.5 mm -102.05 128.77 27.81 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 115.296 -0.866 . . . . 74.4 110.789 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -83.49 20.67 1.14 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.918 2.412 . . . . 75.5 114.714 -175.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' H ' HG22 ' A' ' 33' ' ' ILE . 34.5 p90 -151.52 152.3 30.37 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 122.128 -0.357 . . . . 71.44 111.564 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.16 155.13 42.16 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.944 2.43 . . . . 63.55 113.944 -174.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' HD12 ' A' ' 40' ' ' ILE . 68.2 p -64.95 -34.56 78.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.687 -0.688 . . . . 73.04 111.87 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -55.27 -45.56 76.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.96 0.41 . . . . 74.35 111.376 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.84 -39.99 87.01 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.169 -0.469 . . . . 70.52 110.995 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.6 mt -59.37 -31.42 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.121 0.486 . . . . 74.41 111.62 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.45 -52.65 11.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 112.64 0.607 . . . . 75.51 112.64 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.3 -22.47 61.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.366 0.876 . . . . 74.41 113.366 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.46 139.5 86.77 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 122.029 -0.42 . . . . 63.41 111.272 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.72 160.58 47.56 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.0 1.8 . . . . 71.43 112.08 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.3 p -47.68 -37.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.515 0.561 . . . . 74.34 112.515 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.9 -62.25 2.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.806 0.336 . . . . 75.44 111.447 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 -25.9 64.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.344 -0.389 . . . . 62.15 111.737 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -67.75 -50.36 57.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.916 0.388 . . . . 74.42 110.876 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.05 -38.93 87.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.276 0.56 . . . . 55.11 110.753 176.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.41 -33.92 75.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.071 -0.513 . . . . 71.24 111.078 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.59 -45.56 77.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.496 0.665 . . . . 75.42 110.807 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.89 -27.16 68.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.364 -0.835 . . . . 74.4 111.875 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.52 21.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.319 0.489 . . . . 74.41 112.319 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -80.53 -42.27 22.74 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.115 0.413 . . . . 75.41 112.115 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -95.23 128.45 38.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 122.348 -0.22 . . . . 75.42 111.354 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.4 105.79 0.37 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.634 2.223 . . . . 75.21 112.845 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 88.7 mt -133.36 150.37 51.83 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.057 0.456 . . . . 74.43 111.542 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -82.54 157.4 23.54 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 73.42 110.382 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.63 -39.99 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.214 0.45 . . . . 73.32 112.214 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -61.6 -36.53 80.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.804 0.335 . . . . 75.42 111.501 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.9 mt-30 -70.93 -43.04 69.05 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.502 -0.317 . . . . 74.23 111.352 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.85 -47.49 82.54 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.118 0.485 . . . . 72.12 110.651 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.86 78.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.025 -0.534 . . . . 70.31 111.629 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 27' ' ' ARG . 59.3 tp -62.89 -50.52 70.58 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.431 176.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 61' ' ' GLN . 92.9 t -52.85 -40.25 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.149 0.5 . . . . 72.21 111.409 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -61.85 -45.94 91.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.04 -0.527 . . . . 74.31 111.285 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.65 -40.95 84.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.031 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.79 -38.2 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.83 -0.623 . . . . 61.14 111.508 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -68.52 -40.13 80.9 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.107 -0.371 . . . . 74.11 111.307 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.585 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 1.2 tpm_? -58.65 -36.86 74.81 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.179 0.514 . . . . 74.03 110.554 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -68.75 -62.1 1.53 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.991 -0.55 . . . . 75.14 111.826 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.05 96.22 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 116.102 -0.499 . . . . 73.31 114.215 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' HA ' HG12 ' A' ' 76' ' ' VAL . 13.7 tptp -67.22 -34.55 77.71 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.318 -0.519 . . . . 74.44 111.137 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.1 -37.74 84.45 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.196 0.522 . . . . 73.35 110.355 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -57.32 -49.98 74.39 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.784 -0.644 . . . . 72.31 110.554 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 73' ' ' LYS . 14.8 p -75.28 -27.68 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 120.768 0.318 . . . . 33.11 111.609 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.44 90.61 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.843 0.354 . . . . 72.01 110.912 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.8 68.25 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.117 0.484 . . . . 72.52 111.191 174.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -80.7 -27.72 36.89 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.973 -0.558 . . . . 75.23 111.34 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -122.68 40.92 3.57 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.139 0.422 . . . . 74.32 112.139 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -87.52 -33.47 18.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.844 0.354 . . . . 63.21 111.591 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -75.21 84.05 2.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.014 0.435 . . . . 62.41 111.063 -176.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -151.33 157.15 42.12 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.018 0.377 . . . . 72.14 112.018 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.89 21.88 6.56 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.711 0.634 . . . . 73.41 112.711 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 85' ' ' LYS . 7.1 mmpt? -107.84 106.9 17.4 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.942 0.401 . . . . 73.13 110.759 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.17 -162.38 0.6 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.268 -0.423 . . . . 73.42 111.519 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.1 141.52 49.9 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.907 0.384 . . . . 70.13 111.462 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.1 m -71.3 104.85 3.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.129 0.49 . . . . 73.1 111.62 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -71.79 -174.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.745 -0.661 . . . . 74.34 111.706 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.87 99.55 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.099 -0.376 . . . . 74.35 110.606 176.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 113.155 0.798 . . . . 60.01 113.155 -175.901 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 CA--C 1.539 0.547 0 N-CA-C 111.97 0.359 . . . . 72.3 111.97 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -58.01 -45.32 87.07 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.038 0.447 . . . . 73.02 110.968 176.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -66.91 -34.41 77.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.417 -0.356 . . . . 64.14 111.352 177.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.21 -50.02 75.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.396 0.617 . . . . 52.23 110.661 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -53.41 58.68 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 74.43 112.431 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.8 -24.17 64.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.549 0.574 . . . . 71.34 112.549 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -49.9 14.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.208 0.527 . . . . 42.14 111.252 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.549 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.9 mmm -83.05 0.89 42.81 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.307 -0.406 . . . . 74.43 111.317 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 62.68 62.92 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.626 0.727 . . . . 73.03 112.314 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 35' ' ' PHE . 46.4 mm -95.3 125.03 51.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.619 -0.718 . . . . 73.35 110.613 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 1.1 Cg_endo -83.09 16.57 1.83 Allowed 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 122.872 2.382 . . . . 64.21 114.604 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' H ' HG22 ' A' ' 33' ' ' ILE . 31.4 p90 -146.7 148.22 32.68 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 122.174 -0.328 . . . . 63.41 111.544 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.31 145.61 88.72 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.107 2.538 . . . . 74.55 114.364 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.702 -0.681 . . . . 43.53 112.496 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.68 -44.52 85.84 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.994 0.426 . . . . 75.2 111.461 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.5 -41.35 72.96 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.054 0.454 . . . . 73.22 111.015 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 56.3 mt -57.22 -35.45 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.381 0.61 . . . . 73.1 111.734 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.27 -45.25 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.196 0.522 . . . . 64.34 112.26 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -79.3 -25.71 42.36 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.313 0.857 . . . . 65.12 113.313 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 51' ' ' LEU . 51.2 mt -71.82 145.79 89.84 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 111.985 0.365 . . . . 74.24 111.985 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.06 167.28 27.58 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.769 2.313 . . . . 73.13 112.286 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.39 -40.16 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 112.172 0.434 . . . . 71.42 112.172 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.59 -62.0 1.98 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.1 0.476 . . . . 70.41 111.549 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.08 -36.68 84.4 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.948 -0.569 . . . . 61.1 110.767 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.12 -49.94 74.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.846 0.458 . . . . 73.35 111.922 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.06 -48.85 75.28 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.053 0.454 . . . . 75.04 111.422 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.4 mt-10 -63.56 -39.01 93.3 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.328 -0.396 . . . . 62.15 111.358 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 43' ' ' LEU . 61.8 tp -54.69 -42.96 72.05 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 63.42 110.726 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 HD21 HG11 ' A' ' 65' ' ' VAL . 63.3 mt -64.08 -54.62 31.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.445 0.64 . . . . 74.23 111.191 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.92 67.8 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.173 0.805 . . . . 54.12 113.173 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 81.5 mtp180 -76.91 -30.87 56.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.241 0.46 . . . . 74.13 112.241 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -101.23 137.88 19.8 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.067 0.395 . . . . 73.03 112.067 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.62 83.85 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.467 2.111 . . . . 61.53 112.808 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.436 HD11 ' CE1' ' A' ' 35' ' ' PHE . 91.6 mt -111.32 143.09 42.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.013 -0.54 . . . . 71.03 111.795 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 41.5 p -80.79 172.96 13.1 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.176 -0.466 . . . . 70.24 110.78 173.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.2 -31.17 72.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.902 0.382 . . . . 71.14 110.918 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -73.33 -42.47 62.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.061 -0.518 . . . . 63.21 111.294 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 65' ' ' VAL . 53.7 mt-30 -61.24 -48.97 79.01 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.763 0.315 . . . . 71.05 110.915 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.55 -40.7 72.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.404 -0.362 . . . . 64.12 111.489 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.67 81.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.867 0.365 . . . . 72.44 111.129 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 31' ' ' MET . 49.9 tp -62.55 -48.13 80.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.346 -0.388 . . . . 61.25 111.452 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 61' ' ' GLN . 42.1 t -55.56 -42.71 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.078 0.466 . . . . 71.2 111.131 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -61.15 -34.96 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.118 -0.492 . . . . 73.14 111.839 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 28.3 t70 -76.27 -50.82 13.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.56 -0.291 . . . . 63.32 111.209 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -54.38 -43.51 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 120.694 0.283 . . . . 42.03 111.258 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.42 -45.2 35.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.287 0.565 . . . . 70.13 109.866 174.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -74.26 -39.35 63.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.758 -0.655 . . . . 73.43 111.779 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 22.4 mmt180 -58.84 -50.2 74.87 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.945 0.402 . . . . 73.04 111.545 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.55 85.75 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.709 -0.758 . . . . 42.1 112.331 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 120.712 0.291 . . . . 73.5 111.381 179.382 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.649 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 14.7 m-20 . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 112.219 0.452 . . . . 62.41 112.219 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.46 -26.08 64.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 120.821 0.343 . . . . 72.42 111.115 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -61.4 -42.15 98.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.789 0.328 . . . . 63.25 111.29 174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.649 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 4.9 mpt_? -56.4 -42.51 78.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.308 -0.405 . . . . 73.12 111.474 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -58.04 8.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.306 -0.406 . . . . 73.35 111.976 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -65.33 -33.13 75.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.285 0.476 . . . . 73.53 112.285 -177.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.461 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -65.5 -46.79 78.31 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.902 0.382 . . . . 75.41 111.595 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.578 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.6 mmm -89.11 4.29 48.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.415 -0.357 . . . . 74.32 111.737 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.7 mmpt? 61.9 31.1 18.27 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.595 0.591 . . . . 72.34 112.595 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.414 HD13 HE21 ' A' ' 61' ' ' GLN . 50.3 mm -57.5 117.23 17.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 122.342 0.257 . . . . 75.53 111.229 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.66 13.03 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 122.976 2.451 . . . . 73.4 114.839 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE1' HD11 ' A' ' 57' ' ' LEU . 31.0 p90 -145.45 149.3 40.33 Favored Pre-proline 0 N--CA 1.473 0.715 0 O-C-N 122.157 -0.339 . . . . 73.21 111.507 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.0 155.43 42.92 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.838 2.358 . . . . 64.43 114.315 -172.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -66.78 -41.33 87.83 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.529 -0.759 . . . . 73.14 112.235 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -48.28 59.63 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.341 -0.391 . . . . 70.21 111.847 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.9 ttmm -54.31 -52.41 61.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.362 -0.381 . . . . 70.14 111.131 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.6 mt -51.57 -40.33 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.879 -0.601 . . . . 62.05 112.305 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.97 -45.17 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 112.389 0.515 . . . . 65.23 112.389 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.25 -19.33 56.71 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.913 0.709 . . . . 72.13 112.913 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.495 HD12 HD22 ' A' ' 51' ' ' LEU . 40.3 mt -72.16 131.13 85.5 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 120.943 0.401 . . . . 75.35 111.539 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 164.86 29.99 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.208 1.939 . . . . 50.23 111.648 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.6 -37.29 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.288 0.477 . . . . 74.44 112.288 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.32 -63.98 1.08 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.862 0.363 . . . . 63.14 111.609 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.61 -28.38 68.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.797 0.295 . . . . 40.25 111.797 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.96 -57.86 10.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.991 0.424 . . . . 62.31 111.514 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.63 -33.94 76.74 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.487 -0.324 . . . . 73.31 111.717 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -35.58 76.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.754 0.312 . . . . 71.44 111.502 174.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 43' ' ' LEU . 52.4 tp -58.67 -42.55 88.74 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 74.52 110.95 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.3 -20.24 65.95 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.918 -0.583 . . . . 74.35 111.877 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.13 -1.88 58.28 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.788 0.328 . . . . 63.02 111.874 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.65 -56.57 2.64 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.07 0.462 . . . . 74.33 111.756 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -94.44 146.28 31.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 116.07 -0.514 . . . . 64.03 111.825 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.61 109.29 2.6 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.567 2.178 . . . . 70.21 112.874 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' A' ' 35' ' ' PHE . 87.6 mt -129.9 145.0 51.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.903 0.383 . . . . 52.42 111.26 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -88.22 160.24 17.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.434 -0.348 . . . . 74.11 110.78 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.54 -34.04 10.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.237 0.458 . . . . 74.53 112.237 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -68.41 -41.29 80.63 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 60.21 111.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 65' ' ' VAL . 55.9 mt-30 -66.51 -42.9 86.61 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 111.804 0.298 . . . . 74.01 111.804 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.02 -38.76 76.8 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.341 . . . . 52.2 111.209 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.4 86.13 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.013 0.435 . . . . 32.44 110.951 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.578 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.4 tp -59.99 -43.64 95.04 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.048 -0.524 . . . . 71.0 111.924 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.8 t -55.15 -41.43 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 120.914 0.388 . . . . 63.13 111.181 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 66' ' ' ARG . 27.7 mtm-85 -69.69 -38.49 77.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.86 0.362 . . . . 70.24 111.153 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.0 -50.56 72.35 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.226 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.09 -46.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.296 0.57 . . . . 54.14 110.959 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.49 -36.72 62.01 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.756 -0.656 . . . . 75.15 111.475 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -71.31 -49.36 43.43 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.75 0.278 . . . . 74.55 111.75 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -58.92 -54.76 43.46 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.881 0.372 . . . . 73.34 111.784 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.94 -35.01 62.42 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.027 -0.606 . . . . 75.34 113.093 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 120.724 0.297 . . . . 74.02 111.772 -179.038 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.492 ' HB2' HG21 ' A' ' 37' ' ' THR . 0.8 OUTLIER . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 120.643 0.259 . . . . 60.32 110.717 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -55.03 -39.15 68.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.849 0.357 . . . . 64.11 111.253 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -60.13 -40.14 88.75 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.78 0.324 . . . . 73.43 110.345 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -58.15 -46.73 85.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.224 0.535 . . . . 73.12 110.917 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.764 -0.653 . . . . 44.1 111.991 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.56 -27.34 65.05 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.193 0.442 . . . . 71.34 112.193 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.63 71.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.875 0.369 . . . . 51.32 111.789 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.566 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.8 mmm -99.59 6.27 45.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.454 -0.339 . . . . 70.24 111.508 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 56.64 74.53 0.4 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 73.11 112.435 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -103.81 118.15 58.02 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.773 -0.649 . . . . 64.21 110.634 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.45 24.96 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 122.784 2.323 . . . . 62.14 114.307 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.3 143.54 12.99 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.653 0.263 . . . . 74.34 111.364 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.68 155.98 61.84 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.902 2.401 . . . . 73.21 113.915 -175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 24' ' ' ASP . 70.4 p -63.64 -41.44 98.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.718 -0.674 . . . . 73.25 112.366 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.02 -41.63 47.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.807 0.337 . . . . 63.14 111.537 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.81 -46.36 88.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.04 0.448 . . . . 64.51 110.696 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -53.41 -38.52 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.984 -0.553 . . . . 72.24 112.169 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 69' ' ' ARG . 41.4 t -87.66 -43.21 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 112.586 0.587 . . . . 63.03 112.586 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -86.89 21.0 2.39 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.418 0.896 . . . . 74.21 113.418 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 51' ' ' LEU . 58.5 mt -103.96 140.19 20.82 Favored Pre-proline 0 N--CA 1.471 0.62 0 O-C-N 122.244 -0.285 . . . . 75.41 111.078 170.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.87 154.39 70.09 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 121.87 1.713 . . . . 74.04 111.699 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -48.22 -39.67 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 113.222 0.823 . . . . 73.54 113.222 -174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -55.06 27.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.95 0.405 . . . . 65.41 111.604 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.9 -20.03 66.08 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.051 0.389 . . . . 72.14 112.051 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.99 -46.95 69.88 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.874 0.369 . . . . 73.44 110.403 173.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.71 -41.92 91.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.137 0.494 . . . . 42.54 110.437 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 20.4 mm-40 -55.51 -50.6 69.54 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.866 -0.606 . . . . 62.52 111.307 172.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.477 HD22 HD12 ' A' ' 43' ' ' LEU . 57.6 tp -48.83 -48.49 41.62 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.012 -0.54 . . . . 65.52 111.698 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.93 -42.17 97.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.0 0.428 . . . . 72.4 111.93 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.68 58.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.323 0.49 . . . . 74.34 112.323 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.5 mtt180 -76.62 -27.94 55.91 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.651 0.612 . . . . 62.54 112.651 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -109.44 139.33 21.02 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 122.291 -0.256 . . . . 65.5 111.496 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.25 104.99 0.95 Allowed 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.725 2.283 . . . . 61.3 112.848 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.24 141.82 50.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.91 0.386 . . . . 75.32 111.645 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 44.0 p -83.83 163.64 19.99 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.701 -0.227 . . . . 74.42 110.498 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.12 -47.72 12.16 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.064 0.459 . . . . 75.34 111.956 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 m -64.76 -33.44 75.99 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.177 -0.465 . . . . 73.51 112.05 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 65' ' ' VAL . 49.6 mt-30 -68.63 -42.02 78.64 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 122.402 -0.186 . . . . 75.43 111.267 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.21 -42.9 99.41 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.86 0.362 . . . . 61.51 110.87 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.71 85.19 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.015 0.436 . . . . 61.31 111.046 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' HG3' ' A' ' 31' ' ' MET . 55.8 tp -59.32 -50.59 73.42 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.329 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 61' ' ' GLN . 88.3 t -54.06 -42.37 54.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.898 0.38 . . . . 61.41 111.426 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -61.11 -42.59 98.81 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.375 -0.375 . . . . 62.22 111.538 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.82 -34.91 74.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.891 0.377 . . . . 70.44 111.04 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LEU . 68.5 mt -62.7 -43.7 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.674 0.273 . . . . 61.14 111.025 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HA ' HG22 ' A' ' 41' ' ' VAL . 13.3 ttm180 -63.51 -43.03 98.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.981 0.42 . . . . 72.01 110.855 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -56.93 -42.13 79.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.065 -0.516 . . . . 75.04 111.273 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 71' ' ' ARG . 10.6 mmt180 -73.26 -48.11 37.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.17 0.509 . . . . 75.32 111.551 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.43 -35.28 90.79 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 116.152 -0.477 . . . . 70.4 113.231 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 CA-C-O 120.693 0.282 . . . . 74.23 110.771 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.537 0.457 0 CA-C-O 121.274 0.559 . . . . 71.44 110.538 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.11 -35.9 80.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.924 -0.58 . . . . 73.11 111.539 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 33.3 mmt180 -61.8 -39.69 92.59 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.683 0.278 . . . . 72.35 111.403 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.79 -44.13 86.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.17 0.509 . . . . 75.21 110.557 171.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -55.6 -57.85 10.24 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.768 -0.651 . . . . 73.13 112.29 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -63.4 -29.46 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.009 0.374 . . . . 63.32 112.009 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -68.7 -40.78 79.85 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.122 0.487 . . . . 75.53 111.316 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.576 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 96.2 mmm -86.78 -10.62 53.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.182 -0.463 . . . . 62.01 111.238 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 mttp 76.32 63.66 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.672 0.789 . . . . 54.13 112.078 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.504 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.2 mm -95.5 117.88 66.4 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 115.601 -0.727 . . . . 73.43 110.739 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.2 8.67 4.23 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.747 2.298 . . . . 65.15 114.82 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.466 ' H ' HG22 ' A' ' 33' ' ' ILE . 22.7 p90 -134.53 150.35 73.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 122.035 -0.416 . . . . 74.33 111.888 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.82 154.81 63.34 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.05 2.5 . . . . 75.03 114.419 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.56 ' HA ' HD12 ' A' ' 40' ' ' ILE . 66.3 p -67.7 -39.95 84.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.655 -0.702 . . . . 72.02 112.319 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.13 -50.84 63.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.923 0.392 . . . . 72.35 111.689 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -58.07 -44.57 87.58 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.396 -0.365 . . . . 70.42 111.139 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 37' ' ' THR . 82.9 mt -49.65 -48.9 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.186 0.517 . . . . 72.34 111.769 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 57.9 t -69.46 -39.76 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-N 116.088 -0.505 . . . . 42.12 111.91 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -76.48 -27.46 56.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.099 0.777 . . . . 74.32 113.099 -174.031 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.525 HD12 HD22 ' A' ' 51' ' ' LEU . 66.9 mt -68.78 130.67 91.59 Favored Pre-proline 0 N--CA 1.473 0.68 0 N-CA-C 112.011 0.374 . . . . 51.43 112.011 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.45 -178.56 1.9 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.669 2.246 . . . . 65.32 112.953 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 46' ' ' ASP . 6.7 p -54.14 -57.13 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 113.882 1.067 . . . . 55.33 113.882 -171.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 45' ' ' VAL . 6.6 m-20 -65.14 -49.11 71.17 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.88 -0.512 . . . . 72.43 111.792 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.73 -35.04 75.35 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.912 0.386 . . . . 75.22 111.406 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 65' ' ' VAL . 88.9 t80 -61.46 -50.14 74.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.168 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.93 -40.32 88.5 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.953 0.406 . . . . 74.44 110.957 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 29.9 mm-40 -57.71 -49.0 77.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.288 -0.414 . . . . 75.32 111.193 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 43' ' ' LEU . 47.2 tp -51.38 -45.96 62.62 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.026 0.441 . . . . 74.03 111.173 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.91 -36.51 84.62 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.961 0.41 . . . . 72.11 111.845 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.38 -19.53 46.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.525 0.565 . . . . 41.23 112.525 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 68.6 mtt180 -94.34 3.42 55.23 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.692 0.627 . . . . 75.11 112.692 -175.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -132.33 148.72 70.84 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.894 0.378 . . . . 64.3 111.802 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.97 85.65 1.34 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.332 2.021 . . . . 62.44 112.3 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 35' ' ' PHE . 76.8 mt -117.07 131.31 56.95 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.061 -0.518 . . . . 74.14 111.543 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.9 p -68.62 155.74 39.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.956 0.407 . . . . 74.12 111.209 174.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -47.32 -44.32 23.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.832 0.679 . . . . 72.41 112.832 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -65.19 -34.42 78.32 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.015 0.436 . . . . 65.24 111.712 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.576 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 52.6 mt-30 -62.05 -44.99 95.51 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.469 -0.332 . . . . 75.14 111.395 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 mp -59.75 -44.48 93.79 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.852 0.358 . . . . 71.32 110.582 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.18 74.13 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.992 0.425 . . . . 74.43 111.736 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 27' ' ' ARG . 67.8 tp -66.07 -53.27 40.35 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.116 -0.493 . . . . 71.3 110.976 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.519 HG13 HD13 ' A' ' 40' ' ' ILE . 71.2 t -53.29 -37.95 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 116.209 -0.45 . . . . 62.14 111.985 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 26.7 mtp180 -63.81 -39.82 95.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.886 0.374 . . . . 75.13 111.368 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 30.9 t70 -67.68 -43.92 79.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.512 -0.313 . . . . 74.31 110.653 176.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.74 -42.66 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.032 0.444 . . . . 63.23 111.503 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 55.7 ttp180 -62.13 -50.2 72.82 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.444 -0.344 . . . . 72.0 111.537 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 29.8 ptt180 -69.67 -28.33 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 111.65 0.241 . . . . 71.2 111.65 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -68.93 -50.66 47.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.824 0.345 . . . . 71.02 111.103 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.89 95.71 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.965 -0.636 . . . . 43.01 112.698 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 111.768 0.284 . . . . 71.31 111.768 178.427 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HA ' ' NH1' ' A' ' 27' ' ' ARG . 4.8 m-20 . . . . . 0 CA--C 1.536 0.434 0 CA-C-O 121.165 0.507 . . . . 63.54 111.451 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -70.22 -34.96 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.801 -0.636 . . . . 72.42 111.631 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.59 -25.02 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.055 0.391 . . . . 75.4 112.055 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 64' ' ' LEU . 67.2 mtt85 -58.74 -43.84 90.32 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.156 0.503 . . . . 74.44 110.934 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -61.94 -57.23 12.53 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.898 -0.592 . . . . 72.55 112.013 -177.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.2 pp -63.85 -28.47 69.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 111.96 0.356 . . . . 75.33 111.96 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -67.49 -48.67 66.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.764 0.316 . . . . 62.21 111.589 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.1 mmm -91.84 7.51 41.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.478 -0.328 . . . . 73.44 111.517 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.9 71.9 0.56 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.606 0.717 . . . . 70.41 112.477 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.41 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.0 mm -102.1 111.48 64.36 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.595 -0.729 . . . . 65.31 110.204 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.94 25.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 122.784 2.322 . . . . 60.21 115.092 -172.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 57' ' ' LEU . 33.8 p90 -146.41 147.92 32.52 Favored Pre-proline 0 N--CA 1.474 0.757 0 O-C-N 121.862 -0.524 . . . . 73.45 111.927 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.56 139.99 79.0 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 123.348 2.699 . . . . 75.54 114.62 -173.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 70.2 p -65.64 -40.53 92.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.711 -0.677 . . . . 65.33 112.618 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.71 -43.25 72.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.123 0.487 . . . . 71.15 111.718 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.7 -36.09 83.17 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.204 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.579 HD13 HG13 ' A' ' 65' ' ' VAL . 69.8 mt -55.78 -40.93 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.236 0.541 . . . . 73.54 111.414 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.432 HG21 ' HA3' ' A' ' 72' ' ' GLY . 62.9 t -74.63 -36.57 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.914 -0.585 . . . . 73.54 111.865 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.515 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.8 OUTLIER -73.6 -40.36 63.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.391 0.515 . . . . 55.33 112.391 -176.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.87 136.17 94.4 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.237 0.458 . . . . 70.05 112.237 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 176.1 8.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.705 2.27 . . . . 71.13 112.645 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.53 -43.31 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 113.04 0.755 . . . . 62.22 113.04 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.92 -55.39 26.39 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.867 0.365 . . . . 73.04 111.528 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 -37.13 76.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.945 0.402 . . . . 73.45 111.427 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -61.29 -50.02 74.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.096 -0.502 . . . . 75.14 111.214 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.781 0.324 . . . . 75.13 111.287 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.8 mm-40 -55.19 -51.02 67.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.919 0.39 . . . . 74.52 110.674 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -50.59 -49.44 56.35 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.885 -0.598 . . . . 70.22 111.48 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.98 -31.7 72.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.387 0.514 . . . . 74.24 112.387 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.53 -21.91 35.22 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.227 0.455 . . . . 64.43 112.227 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 85.6 mtt180 -90.39 -16.83 28.35 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.513 0.56 . . . . 62.13 112.513 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -106.03 145.25 30.57 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-O 121.066 0.46 . . . . 75.32 112.119 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.85 43.65 1.41 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.048 2.499 . . . . 74.45 113.894 -174.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 72.7 mt -82.14 145.77 29.94 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.946 0.403 . . . . 74.22 111.686 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 p -85.39 164.26 18.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.604 -0.271 . . . . 64.33 110.959 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -47.69 -36.29 10.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.863 0.69 . . . . 73.45 112.863 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -67.72 -40.62 84.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.944 0.402 . . . . 62.34 111.345 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.567 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 49.6 mt-30 -66.48 -43.58 85.06 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.339 -0.391 . . . . 72.22 111.776 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.14 -40.21 88.99 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.957 0.408 . . . . 73.51 111.361 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.91 86.61 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.905 0.383 . . . . 70.44 111.235 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 27' ' ' ARG . 37.6 tp -61.47 -53.01 62.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.23 -0.441 . . . . 51.4 111.267 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 40' ' ' ILE . 64.5 t -53.54 -39.98 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.037 -0.529 . . . . 60.01 111.716 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 66' ' ' ARG . 42.8 mtm180 -62.02 -35.68 79.28 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.33 0.492 . . . . 74.3 112.33 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 29.6 t70 -73.76 -40.34 63.56 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.166 -0.334 . . . . 61.51 110.846 176.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.95 -40.77 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.911 0.386 . . . . 52.54 110.953 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -53.88 -50.49 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.269 0.557 . . . . 70.51 110.516 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.21 -45.68 87.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.676 -0.693 . . . . 74.35 111.763 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 16.9 mmm180 -51.29 -57.22 9.44 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.527 0.565 . . . . 75.15 112.527 -176.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' HA3' HG21 ' A' ' 41' ' ' VAL . . . -74.23 -36.66 50.17 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.879 -0.677 . . . . 72.3 113.564 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm . . . . . 0 N--CA 1.47 0.545 0 O-C-N 122.468 -0.431 . . . . 72.51 111.943 -175.435 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.047 0.451 . . . . 72.22 111.593 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -57.83 -36.72 72.67 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.141 0.423 . . . . 75.34 112.141 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -59.89 -29.1 68.11 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.048 0.452 . . . . 75.01 111.087 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -78.79 -42.21 28.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.285 0.564 . . . . 65.44 110.518 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -56.3 -55.14 37.0 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.707 -0.679 . . . . 63.14 111.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.83 -23.48 67.25 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.955 0.354 . . . . 71.54 111.955 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.54 -49.31 42.0 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.9 0.381 . . . . 73.15 111.444 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.0 mmm -85.73 6.81 26.12 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.422 -0.353 . . . . 75.31 111.806 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt 63.84 72.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 73.24 112.024 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.413 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.2 mm -108.39 116.17 56.87 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 116.456 -0.338 . . . . 63.34 110.628 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -24.36 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.799 2.333 . . . . 64.24 114.097 -176.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -102.86 141.02 21.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.859 0.362 . . . . 74.2 111.904 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -64.69 143.9 82.35 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.884 2.389 . . . . 63.31 114.033 -175.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 40' ' ' ILE . 73.2 p -58.22 -40.07 80.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.025 -0.534 . . . . 64.51 111.751 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.59 -47.61 66.8 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.398 -0.365 . . . . 72.23 111.392 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.9 ttmt -60.33 -43.63 96.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.688 0.28 . . . . 73.53 110.913 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 37' ' ' THR . 63.5 mt -52.1 -37.34 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.266 0.555 . . . . 73.15 111.452 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.8 t -80.84 -45.33 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.987 -0.551 . . . . 54.31 112.212 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.45 -6.26 42.39 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.562 0.578 . . . . 63.15 112.562 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 75.3 mt -83.92 143.49 43.23 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.092 -0.38 . . . . 74.32 111.026 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.73 167.7 25.81 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.287 1.991 . . . . 62.51 112.176 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.98 -41.57 59.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 112.668 0.618 . . . . 74.22 112.668 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.82 -60.93 2.38 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.85 0.357 . . . . 64.42 111.216 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.63 -27.72 41.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.286 0.476 . . . . 74.21 112.286 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.28 -53.37 58.49 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.006 0.431 . . . . 71.52 111.127 173.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -63.66 -31.19 72.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.046 0.45 . . . . 73.42 111.025 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 25.3 mm-40 -62.75 -49.75 73.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.854 0.359 . . . . 73.42 111.145 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.2 tp -54.39 -47.8 72.3 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 HG11 ' A' ' 65' ' ' VAL . 92.0 mt -63.32 -33.9 76.52 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 72.53 112.158 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.11 -33.97 56.8 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.971 0.415 . . . . 43.54 111.708 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 95.9 mtt180 -78.93 -31.47 45.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.878 0.371 . . . . 75.22 111.198 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -106.09 101.07 32.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.581 -0.281 . . . . 61.15 110.75 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -66.39 81.57 0.3 Allowed 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.755 2.303 . . . . 74.11 113.424 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 87.1 mt -91.55 162.55 14.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.148 -0.478 . . . . 63.43 111.03 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.482 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 30.5 p -71.84 147.68 46.93 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.209 -0.307 . . . . 72.31 110.541 176.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.77 -22.79 3.88 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.853 0.359 . . . . 54.42 111.689 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.8 m -75.45 -42.62 52.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.298 -0.41 . . . . 74.13 111.216 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HG3' ' OG1' ' A' ' 58' ' ' THR . 56.9 mt-30 -61.81 -46.39 89.73 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 122.292 -0.255 . . . . 72.11 111.232 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.486 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.2 mp -58.0 -32.66 68.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.67 0.271 . . . . 73.24 111.386 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.99 90.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.131 0.491 . . . . 55.12 111.292 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.41 -49.18 61.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 72.03 111.128 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.505 HG11 HD21 ' A' ' 52' ' ' LEU . 59.8 t -54.93 -43.38 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 71.54 111.291 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -65.8 -30.03 70.6 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.502 -0.317 . . . . 74.35 111.454 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.96 -51.96 16.35 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.695 0.283 . . . . 73.42 111.026 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.499 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 71.5 mt -55.71 -45.53 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.03 0.443 . . . . 63.54 111.039 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -49.84 -48.06 51.22 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.881 -0.599 . . . . 71.43 111.232 174.402 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.96 -40.24 83.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.822 0.344 . . . . 75.32 110.504 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.499 ' HD3' ' HA ' ' A' ' 68' ' ' ILE . 32.4 mtp85 -57.88 -58.0 10.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.274 0.559 . . . . 74.32 111.734 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.39 -36.57 91.77 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.948 -0.569 . . . . 75.13 113.077 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? . . . . . 0 CA--C 1.541 0.631 0 O-C-N 122.369 -0.489 . . . . 72.4 110.891 179.031 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.383 0.512 . . . . 63.03 112.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.63 -36.15 69.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.716 0.293 . . . . 75.04 110.992 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -63.84 -47.17 81.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.943 0.402 . . . . 74.31 110.255 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 64' ' ' LEU . 8.1 mtp85 -57.07 -39.91 75.87 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.999 -0.546 . . . . 74.41 111.278 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -51.84 62.19 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.182 -0.463 . . . . 72.31 112.125 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.45 -20.73 59.92 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 111.977 0.362 . . . . 75.41 111.977 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.06 71.01 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.845 0.355 . . . . 75.34 111.795 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.461 ' HG3' HD22 ' A' ' 64' ' ' LEU . 93.9 mmm -99.57 -0.66 40.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 71.32 111.729 177.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm 61.71 78.01 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.168 0.587 . . . . 71.42 112.272 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -92.3 118.02 67.92 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.019 -0.537 . . . . 62.52 110.419 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.56 28.51 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.946 2.43 . . . . 72.35 114.465 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 44.4 p90 -157.89 155.39 26.47 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 122.193 -0.317 . . . . 52.42 111.591 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 31.0 Cg_endo -61.9 136.66 62.87 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.018 2.479 . . . . 65.14 114.193 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 74.8 p -65.93 -38.39 88.53 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.884 -0.598 . . . . 74.45 112.499 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -54.8 -43.92 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.977 0.418 . . . . 63.43 111.138 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -55.65 -38.87 70.15 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.25 -0.432 . . . . 64.03 111.498 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 69' ' ' ARG . 74.6 mt -52.66 -43.32 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.269 0.557 . . . . 75.52 111.897 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 69' ' ' ARG . 26.7 t -89.42 -26.78 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.067 -0.515 . . . . 70.34 112.365 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -91.77 -13.92 30.73 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.775 1.028 . . . . 63.21 113.775 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.27 144.58 47.01 Favored Pre-proline 0 N--CA 1.473 0.712 0 O-C-N 121.774 -0.579 . . . . 54.3 111.596 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.31 167.49 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.481 2.121 . . . . 65.42 112.124 174.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.0 p -56.3 -41.34 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.822 0.675 . . . . 70.45 112.822 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.33 -57.73 6.86 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 111.943 0.349 . . . . 74.35 111.943 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.28 -34.38 57.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.001 0.429 . . . . 62.35 111.136 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.43 ' HE1' HG23 ' A' ' 40' ' ' ILE . 83.3 t80 -63.48 -46.34 86.64 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.131 -0.486 . . . . 74.24 111.124 175.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.18 -46.71 82.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.072 0.463 . . . . 73.45 111.157 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.0 -34.33 76.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.026 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -55.43 -50.01 70.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.843 0.354 . . . . 75.23 110.89 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.36 -36.78 74.0 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.335 0.588 . . . . 75.51 111.498 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.43 53.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.946 -0.57 . . . . 75.44 112.354 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.17 -3.46 58.82 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.98 0.733 . . . . 73.2 112.98 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 70.1 m-85 -125.6 149.11 64.05 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.306 0.484 . . . . 75.43 112.306 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 4.1 Cg_exo -75.87 42.49 0.96 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.507 2.805 . . . . 41.24 113.207 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.66 136.72 51.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.99 0.424 . . . . 73.25 111.85 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.425 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 28.1 p -72.03 157.96 36.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.393 -0.367 . . . . 73.34 110.035 172.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -49.26 -38.54 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.05 0.453 . . . . 64.3 111.384 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -65.69 -39.22 91.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.065 -0.516 . . . . 62.45 111.368 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 53.6 mt-30 -65.92 -42.11 90.55 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.924 0.342 . . . . 75.23 111.924 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.08 -40.98 77.97 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.97 0.414 . . . . 65.33 110.612 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.06 97.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 50.12 111.335 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 27' ' ' ARG . 61.9 tp -62.03 -50.36 72.35 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.489 -0.323 . . . . 71.43 111.281 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 61' ' ' GLN . 98.0 t -56.07 -45.89 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.172 0.511 . . . . 74.23 111.025 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -62.16 -37.05 83.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.519 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 21.9 t70 -67.79 -45.58 74.42 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.61 -0.268 . . . . 73.12 111.033 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 64' ' ' LEU . 73.8 mt -54.34 -48.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.103 0.478 . . . . 71.24 110.993 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.494 ' HA ' HG22 ' A' ' 41' ' ' VAL . 53.0 ttp180 -61.61 -40.81 96.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.272 0.558 . . . . 74.4 110.884 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -60.42 -44.67 95.52 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.628 -0.714 . . . . 73.12 111.247 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 29.4 mmt180 -65.01 -46.41 81.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.872 0.368 . . . . 63.23 110.819 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.6 -40.26 98.92 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.072 -0.513 . . . . 61.14 113.488 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 112.417 0.525 . . . . 74.15 112.417 -179.275 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.54 0.568 0 CA-C-O 121.205 0.526 . . . . 54.14 111.125 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -52.21 -45.29 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.643 -0.708 . . . . 73.52 111.252 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' HD21 ' A' ' 29' ' ' LEU . 34.9 mmt180 -61.39 -36.33 79.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.98 -0.554 . . . . 73.35 111.561 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.93 -42.79 84.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.11 0.481 . . . . 75.4 110.466 175.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -54.52 44.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.944 -0.571 . . . . 61.25 112.033 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD21 ' HD3' ' A' ' 26' ' ' ARG . 4.4 pp -68.58 -20.98 64.55 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.088 0.403 . . . . 61.21 112.088 -178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.85 98.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.124 0.488 . . . . 41.4 111.162 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mmm -100.37 -8.23 23.54 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.359 -0.382 . . . . 73.43 111.487 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 66.34 93.94 0.07 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.618 0.767 . . . . 74.22 112.467 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 51.4 mm -111.47 124.58 32.26 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.798 -0.637 . . . . 74.52 110.962 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 12.6 Cg_exo -70.39 -18.32 34.13 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.021 2.48 . . . . 63.12 114.851 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -116.69 149.33 43.73 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 112.423 0.527 . . . . 71.43 112.423 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.32 141.71 82.86 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.146 2.564 . . . . 44.41 114.097 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.448 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.4 p -61.07 -41.75 97.21 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.601 -0.727 . . . . 72.3 112.503 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -54.61 -48.86 71.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.363 -0.38 . . . . 75.03 111.894 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.06 -40.91 86.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.588 -0.278 . . . . 64.1 111.592 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.449 HD13 HG13 ' A' ' 65' ' ' VAL . 65.1 mt -52.68 -39.74 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.512 0.672 . . . . 52.52 111.228 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.79 -35.95 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.672 -0.694 . . . . 70.34 112.233 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -82.38 -29.56 30.79 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.959 0.726 . . . . 63.1 112.959 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.87 139.58 93.42 Favored Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 122.092 -0.38 . . . . 74.14 111.92 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.0 172.12 16.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.66 2.24 . . . . 75.13 111.968 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.89 -39.47 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 112.356 0.502 . . . . 70.33 112.356 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.06 -63.0 1.46 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.036 0.446 . . . . 73.43 111.598 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.64 -25.41 65.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.293 -0.412 . . . . 72.02 111.746 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.73 -50.68 68.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.022 0.439 . . . . 73.23 110.742 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -59.38 -45.15 92.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.155 -0.475 . . . . 61.33 110.903 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 58.6 mm-40 -57.62 -45.91 84.76 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.257 -0.429 . . . . 62.35 111.342 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 52.0 tp -58.37 -45.98 87.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.31 -0.405 . . . . 74.15 111.226 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.1 -30.6 71.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.424 -0.353 . . . . 64.01 111.543 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.47 60.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.883 0.373 . . . . 75.44 111.922 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 61.1 mtp180 -62.49 -49.24 76.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.833 0.679 . . . . 74.51 112.833 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 88.9 m-85 -102.71 143.96 27.66 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.253 0.464 . . . . 75.4 112.253 -172.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 7.4 Cg_exo -73.45 61.99 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.156 2.571 . . . . 52.4 112.932 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.32 137.35 35.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.94 0.4 . . . . 62.23 111.179 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 p -68.79 152.84 44.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.484 -0.326 . . . . 64.2 110.782 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -49.08 -39.59 28.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.636 0.606 . . . . 75.02 112.636 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -64.92 -32.53 74.29 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.056 0.455 . . . . 60.34 111.703 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' VAL . 56.8 mt-30 -69.06 -42.84 75.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.277 -0.265 . . . . 52.42 111.429 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.91 -40.64 85.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.965 0.412 . . . . 72.22 110.617 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.66 84.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.075 -0.511 . . . . 64.23 111.07 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.35 -46.56 88.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.362 -0.381 . . . . 64.31 111.281 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 61' ' ' GLN . 71.9 t -57.08 -41.55 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.976 0.417 . . . . 61.4 111.094 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 66' ' ' ARG . 60.9 mtt180 -64.27 -40.55 96.2 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.989 175.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 31.0 t70 -62.15 -44.74 95.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.975 176.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.04 -44.92 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.862 0.363 . . . . 60.31 111.175 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.416 ' HB2' HG22 ' A' ' 40' ' ' ILE . 49.8 ttt180 -59.01 -40.42 84.89 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.0 0.429 . . . . 74.33 110.528 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -62.88 -48.05 80.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.097 -0.501 . . . . 71.32 111.197 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 41.8 mtp85 -59.12 -39.52 82.55 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.115 0.413 . . . . 64.11 112.115 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.77 -49.03 15.0 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.085 -0.578 . . . . 75.24 112.774 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 120.988 0.423 . . . . 70.32 111.346 178.698 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.262 0.468 . . . . 64.31 112.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.22 -43.46 74.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.686 0.279 . . . . 60.35 111.416 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.52 -47.08 87.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.173 0.511 . . . . 75.0 111.019 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.596 ' HB3' HD21 ' A' ' 64' ' ' LEU . 14.2 mmt180 -59.29 -38.9 81.34 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.828 -0.624 . . . . 73.43 111.433 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.43 -52.51 63.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.233 -0.439 . . . . 55.33 111.963 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.96 -21.48 60.01 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.847 0.314 . . . . 74.5 111.847 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.02 -47.95 40.52 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.13 0.49 . . . . 73.11 111.515 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.55 ' HG3' HD22 ' A' ' 64' ' ' LEU . 95.3 mmm -90.13 1.98 55.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.359 -0.382 . . . . 72.13 111.367 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt 53.65 74.2 0.33 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.615 0.721 . . . . 74.31 111.874 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mm -92.22 119.07 68.36 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 115.603 -0.726 . . . . 44.24 110.778 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' HD21 ' A' ' 57' ' ' LEU . 66.3 Cg_endo -72.07 16.33 0.36 Allowed 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 122.929 2.419 . . . . 72.1 114.775 -174.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' A' ' 57' ' ' LEU . 37.2 p90 -148.94 147.61 24.67 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 120.644 0.259 . . . . 73.25 111.158 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.85 149.17 59.5 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.852 2.368 . . . . 73.33 114.172 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.536 ' HA ' HD12 ' A' ' 40' ' ' ILE . 53.4 p -67.94 -34.21 76.15 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.106 -0.497 . . . . 65.41 111.491 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.07 -46.42 65.15 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.195 0.522 . . . . 71.52 110.682 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -60.58 -39.63 88.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.887 -0.597 . . . . 73.14 110.963 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 65' ' ' VAL . 69.9 mt -58.87 -28.28 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.797 -0.638 . . . . 70.14 111.715 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.16 -41.2 13.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.214 -0.448 . . . . 70.23 112.119 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -69.36 -30.03 67.95 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 73.51 112.042 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.04 127.1 70.66 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 120.897 0.379 . . . . 71.31 111.551 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.95 164.78 30.46 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.282 1.988 . . . . 72.05 112.018 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -48.42 -33.34 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.56 0.578 . . . . 72.43 112.56 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.94 -62.57 1.77 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.858 0.361 . . . . 71.33 111.206 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.08 -30.15 70.61 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.072 0.463 . . . . 73.22 111.568 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' HG12 ' A' ' 65' ' ' VAL . 82.0 t80 -59.69 -54.91 40.85 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.926 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.68 -29.11 67.85 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.911 0.386 . . . . 74.01 111.603 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -68.18 -47.31 68.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 72.35 111.238 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.91 -39.97 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.332 -0.395 . . . . 74.43 111.634 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.84 -30.47 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.469 0.544 . . . . 71.35 112.469 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.83 -7.06 56.86 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.16 0.429 . . . . 74.33 112.16 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -103.3 4.09 36.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.407 0.521 . . . . 63.54 112.407 -174.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -141.73 136.49 15.42 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.667 -0.242 . . . . 72.42 111.206 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.72 103.54 0.71 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.95 2.434 . . . . 64.22 113.03 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 34' ' ' PRO . 96.4 mt -133.21 145.76 50.87 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.059 0.457 . . . . 73.45 111.427 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -81.31 157.61 25.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.513 -0.312 . . . . 61.14 110.611 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.41 -37.02 46.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.165 0.432 . . . . 72.42 112.165 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.3 m -63.14 -36.45 83.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.063 0.459 . . . . 74.03 111.062 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.1 mt-30 -72.58 -43.21 63.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.433 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.01 -45.39 92.93 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.19 -0.319 . . . . 62.42 111.446 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.72 63.99 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 53.12 111.197 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 27' ' ' ARG . 55.0 tp -67.61 -53.76 25.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.808 -0.633 . . . . 61.14 111.248 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 40' ' ' ILE . 98.1 t -54.49 -39.94 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.037 0.446 . . . . 74.14 111.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -65.75 -35.23 80.15 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.805 0.336 . . . . 74.51 111.345 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 17.2 t70 -65.22 -48.74 72.29 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.932 0.396 . . . . 73.53 110.279 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -49.51 -50.91 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 115.915 -0.584 . . . . 73.42 111.369 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -58.28 -43.62 88.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.247 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -56.59 -36.4 69.34 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 111.977 0.362 . . . . 65.34 111.977 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.592 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 18.0 mmt180 -81.94 -62.91 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.257 0.551 . . . . 73.03 111.586 -176.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.79 -36.28 91.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 116.029 -0.532 . . . . 65.13 114.39 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.5 tptp . . . . . 0 N--CA 1.471 0.585 0 O-C-N 122.401 -0.47 . . . . 44.55 111.974 -176.182 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 120.838 0.352 . . . . 75.12 111.783 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -58.48 -47.68 83.26 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.526 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -68.76 -34.04 74.9 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.608 0.242 . . . . 73.23 111.412 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -58.88 -44.67 91.17 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.154 0.502 . . . . 65.44 110.689 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.74 80.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.833 -0.621 . . . . 73.22 112.122 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.87 -21.59 54.72 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.578 0.584 . . . . 75.03 112.578 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.56 -46.97 44.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.016 0.436 . . . . 61.34 111.552 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.64 -11.77 58.97 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.199 -0.455 . . . . 64.12 111.059 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt 64.6 84.1 0.16 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.758 0.823 . . . . 73.12 112.135 -176.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.05 114.79 63.69 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 115.746 -0.661 . . . . 65.41 110.307 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -76.35 24.85 0.44 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 122.808 2.339 . . . . 51.24 114.467 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -155.52 153.39 26.38 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.799 0.333 . . . . 73.21 111.691 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.4 141.26 80.45 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.054 2.503 . . . . 72.41 113.881 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.417 ' HA ' HD12 ' A' ' 40' ' ' ILE . 47.8 p -66.62 -21.98 66.12 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.05 -0.523 . . . . 73.13 111.73 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -58.34 -58.2 9.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.894 0.378 . . . . 55.24 110.835 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.92 -35.84 35.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.057 -0.519 . . . . 71.41 111.828 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 37' ' ' THR . 63.0 mt -55.7 -44.41 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.27 0.557 . . . . 52.44 111.927 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.29 -20.09 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.154 -0.476 . . . . 73.44 111.948 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.483 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -80.16 -40.1 27.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -176.556 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.7 149.23 74.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.595 0.591 . . . . 72.41 112.595 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.98 172.93 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.582 2.188 . . . . 74.04 111.979 172.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -46.18 69.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 113.29 0.848 . . . . 74.03 113.29 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.3 -53.85 49.1 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.039 0.385 . . . . 72.3 112.039 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.97 -38.04 84.55 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.044 0.449 . . . . 74.44 110.919 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.66 -42.95 79.83 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.832 -0.622 . . . . 74.32 111.07 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.27 -46.68 85.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 71.22 111.136 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.0 mt-10 -61.12 -43.5 98.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.2 -45.7 53.85 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.213 -0.449 . . . . 74.53 111.427 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.44 -31.07 72.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.065 -0.516 . . . . 75.32 112.149 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.75 -33.93 19.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.443 0.535 . . . . 34.43 112.443 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.7 mtt180 -69.16 -36.32 77.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.841 0.353 . . . . 63.41 111.768 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -97.79 142.68 24.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.79 0.329 . . . . 64.3 111.622 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.47 89.61 0.33 Allowed 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.254 1.969 . . . . 54.53 112.011 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 89.2 mt -113.16 144.46 42.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.06 0.457 . . . . 73.33 112.195 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 p -89.52 162.66 15.58 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.3 -0.409 . . . . 62.43 110.484 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -49.93 -42.31 48.07 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.848 0.356 . . . . 70.44 111.691 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.444 -0.344 . . . . 75.05 111.795 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 mt-30 -69.84 -46.05 66.47 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.646 0.239 . . . . 73.33 111.646 178.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.7 mp -55.1 -41.97 72.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.026 0.441 . . . . 73.12 110.353 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.11 79.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.045 -0.525 . . . . 71.22 111.31 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.83 -41.21 90.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.845 0.355 . . . . 75.24 111.79 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.2 t -63.45 -44.57 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.698 0.285 . . . . 70.14 111.274 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 75.7 mtt-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.913 0.387 . . . . 74.04 110.629 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.415 ' CG ' HH12 ' A' ' 71' ' ' ARG . 33.9 t70 -59.1 -52.08 67.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.83 -0.623 . . . . 74.11 110.994 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.03 -44.08 95.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 121.076 0.465 . . . . 73.52 111.183 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -53.23 -43.24 67.13 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.797 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.5 -59.54 4.83 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.094 -0.503 . . . . 73.05 111.349 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.415 HH12 ' CG ' ' A' ' 67' ' ' ASP . 91.4 mtm-85 -58.91 -35.56 73.27 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.165 0.432 . . . . 65.12 112.165 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.13 92.9 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.898 -0.667 . . . . 75.32 113.402 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 112.644 0.609 . . . . 72.41 112.644 -178.067 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 CA--C 1.544 0.716 0 CA-C-O 120.661 0.267 . . . . 74.22 111.565 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.54 -41.64 73.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.922 0.391 . . . . 74.44 112.054 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 61.8 mtp180 -63.78 -35.59 81.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.641 0.258 . . . . 63.4 111.577 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.9 -36.38 83.14 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.078 0.466 . . . . 75.42 110.749 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 -53.05 50.79 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.244 -0.434 . . . . 74.34 111.755 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.4 pp -70.08 -24.09 63.18 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.012 0.375 . . . . 62.43 112.012 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.05 92.97 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.142 0.496 . . . . 50.44 110.916 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.7 mmm -96.06 8.22 44.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.921 -0.581 . . . . 74.33 111.443 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HB3' ' NZ ' ' A' ' 32' ' ' LYS . 7.3 mtpm? 56.78 69.92 0.7 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.647 0.61 . . . . 73.15 112.647 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.34 117.48 67.42 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 116.303 -0.408 . . . . 74.25 110.845 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.66 27.53 0.56 Allowed 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.92 2.414 . . . . 41.44 114.324 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -155.64 144.65 14.96 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 122.242 -0.286 . . . . 74.33 111.498 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.29 137.79 44.68 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.727 2.284 . . . . 74.11 113.78 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 40' ' ' ILE . 60.2 p -63.64 -33.77 76.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.917 -0.583 . . . . 70.04 111.671 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.97 -49.84 38.64 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.262 0.553 . . . . 74.41 110.941 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.3 -42.09 99.07 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.888 -0.597 . . . . 73.35 111.182 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 37' ' ' THR . 73.8 mt -52.68 -42.92 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.342 0.591 . . . . 73.52 111.366 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.5 t -76.85 -33.63 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.928 -0.578 . . . . 70.03 112.097 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.523 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.8 OUTLIER -78.51 -33.34 48.11 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.571 0.582 . . . . 73.31 112.571 -176.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -69.13 147.6 97.54 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-O 121.002 0.43 . . . . 71.53 112.032 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.95 168.95 23.14 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.347 2.031 . . . . 64.23 111.713 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.62 -34.0 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 120.901 0.381 . . . . 74.32 111.735 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.49 -61.36 2.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.581 0.352 . . . . 73.5 111.597 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.96 -35.58 78.88 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.803 0.335 . . . . 70.22 111.773 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.26 -51.34 70.19 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.999 0.428 . . . . 73.03 111.433 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.24 -44.26 83.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.314 -0.403 . . . . 75.34 111.19 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 43.7 mt-10 -59.37 -46.6 88.22 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.078 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.84 -45.42 74.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.991 -0.549 . . . . 74.24 111.546 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.63 -30.41 70.68 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.304 0.483 . . . . 72.33 112.304 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.61 24.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.257 0.466 . . . . 72.12 112.257 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 90.4 mtt180 -69.71 -49.47 53.0 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -84.7 132.81 45.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 122.223 -0.298 . . . . 74.15 111.493 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.88 87.44 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.604 2.202 . . . . 73.2 112.826 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 81.6 mt -107.82 159.41 16.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.154 -0.475 . . . . 72.11 111.272 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.423 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 43.4 p -80.66 157.74 25.85 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.296 -0.261 . . . . 74.22 110.296 173.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.01 -37.46 45.28 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.847 0.356 . . . . 62.24 111.762 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -63.4 -41.54 98.74 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.404 -0.362 . . . . 74.52 111.49 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 55.3 mt-30 -64.67 -45.39 86.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.852 -0.158 . . . . 64.12 111.417 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.47 -42.0 86.5 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.904 0.383 . . . . 74.32 110.919 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.83 96.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.982 0.42 . . . . 51.13 111.175 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 31' ' ' MET . 59.8 tp -56.76 -50.51 72.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.06 -0.518 . . . . 70.12 111.072 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 40' ' ' ILE . 73.1 t -56.4 -37.0 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.609 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -67.95 -36.98 81.02 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 122.156 -0.34 . . . . 71.41 111.267 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -66.29 -42.31 88.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.853 0.359 . . . . 65.02 110.421 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 37' ' ' THR . 76.7 mt -57.08 -46.61 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.095 0.474 . . . . 74.34 111.027 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -59.4 -45.05 92.58 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.137 0.494 . . . . 74.52 111.366 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -63.98 -48.65 75.59 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.135 -0.484 . . . . 74.23 112.046 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.414 ' NH2' HG12 ' A' ' 68' ' ' ILE . 23.1 ptt180 -76.88 -30.27 56.16 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.859 0.362 . . . . 73.12 111.759 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.12 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.171 -0.537 . . . . 72.01 112.794 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? . . . . . 0 CA--C 1.542 0.672 0 O-C-N 122.403 -0.469 . . . . 73.52 110.49 177.226 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 N--CA 1.47 0.545 0 CA-C-O 121.175 0.512 . . . . 70.42 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.2 -40.27 73.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.81 -0.632 . . . . 72.31 111.149 177.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -59.04 -40.77 86.08 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.369 -0.378 . . . . 72.23 111.174 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.3 -44.69 94.29 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.05 0.452 . . . . 62.25 110.785 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.05 -58.14 9.99 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.087 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -65.16 -28.25 69.28 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.796 0.295 . . . . 63.13 111.796 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.404 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -64.81 -37.15 86.65 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.948 0.404 . . . . 71.31 111.266 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.565 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.4 mmm -99.18 11.65 38.44 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.362 -0.381 . . . . 72.33 111.321 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 56.11 48.21 18.04 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.606 0.595 . . . . 72.23 112.606 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.6 mm -75.74 119.67 78.16 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.814 -0.63 . . . . 64.24 110.924 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -82.52 29.27 0.55 Allowed 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 122.889 2.393 . . . . 45.54 114.496 -175.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -157.16 144.6 13.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 111.833 0.309 . . . . 73.25 111.833 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.79 147.83 81.63 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 123.176 2.584 . . . . 73.3 114.065 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.551 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.1 p -71.81 -35.16 69.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.854 -0.612 . . . . 63.34 112.506 -177.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -56.88 -42.56 80.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.893 0.378 . . . . 73.13 110.992 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -60.79 -48.95 79.49 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.405 -0.361 . . . . 73.43 110.475 176.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.553 HD13 HG13 ' A' ' 65' ' ' VAL . 80.1 mt -48.98 -46.55 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.221 0.534 . . . . 64.43 111.784 177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 60.6 t -70.84 -40.82 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.931 -0.577 . . . . 74.13 112.427 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -90.09 -2.83 58.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.1 0.778 . . . . 73.2 113.1 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 27.8 mt -75.37 145.41 79.65 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 122.168 -0.332 . . . . 72.24 111.217 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 33.8 Cg_exo -58.7 160.7 16.84 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.397 2.065 . . . . 74.14 112.035 171.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.86 -40.23 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 64.43 110.97 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -53.96 24.72 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.038 -0.528 . . . . 72.13 111.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.525 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -62.38 -32.31 73.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.677 0.275 . . . . 72.33 111.719 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.56 -50.12 73.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.962 0.411 . . . . 75.32 110.977 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.58 -40.59 95.3 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.349 -0.387 . . . . 64.41 111.062 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.3 mm-40 -55.5 -47.96 75.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.955 0.407 . . . . 62.33 110.647 172.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.6 tp -51.24 -53.69 32.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.94 -0.573 . . . . 74.42 111.611 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.508 HD21 HG11 ' A' ' 65' ' ' VAL . 84.4 mt -68.45 -21.98 64.61 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.379 0.511 . . . . 64.24 112.379 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.72 -19.6 34.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.088 0.47 . . . . 54.44 111.502 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 83.4 mtt180 -94.17 -28.67 15.53 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.134 0.42 . . . . 73.11 112.134 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -100.88 115.96 64.66 Favored Pre-proline 0 N--CA 1.471 0.619 0 N-CA-C 111.72 0.267 . . . . 73.34 111.72 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.33 75.81 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.627 2.218 . . . . 73.32 112.974 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 83.1 mt -94.2 158.2 15.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.994 -0.548 . . . . 62.22 111.325 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -80.26 157.91 26.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.526 -0.306 . . . . 70.15 110.831 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -43.33 -55.75 3.9 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.99 0.737 . . . . 74.32 112.99 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.4 m -54.94 -32.69 61.54 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.562 0.578 . . . . 64.01 112.562 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.2 mt-30 -70.98 -45.87 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.587 0.217 . . . . 70.13 111.587 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 62' ' ' LEU . 6.0 mp -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.951 0.405 . . . . 74.21 110.588 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.14 73.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.088 -0.505 . . . . 63.15 111.113 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.565 HD22 ' HG3' ' A' ' 31' ' ' MET . 54.8 tp -71.21 -51.85 22.4 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.405 -0.361 . . . . 72.42 111.331 176.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.553 HG13 HD13 ' A' ' 40' ' ' ILE . 86.4 t -52.34 -45.2 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 112.206 0.447 . . . . 74.12 112.206 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 66' ' ' ARG . 46.9 mtt180 -64.21 -35.29 80.33 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.898 0.38 . . . . 72.22 111.415 177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 38.7 t70 -71.47 -36.34 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.757 0.313 . . . . 61.55 111.019 177.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LEU . 75.3 mt -59.96 -44.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.75 0.31 . . . . 71.12 111.458 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.573 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 44.9 ttt-85 -58.87 -39.01 80.1 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.412 0.625 . . . . 72.5 110.207 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -64.95 -40.54 95.18 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.697 -0.683 . . . . 70.03 111.125 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 23.8 mtp180 -68.22 -28.06 66.91 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.917 -0.583 . . . . 71.11 112.105 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.1 -40.54 11.37 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.75 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 112.857 0.688 . . . . 61.43 112.857 -177.292 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.966 ' HB3' HH22 ' A' ' 71' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 111.705 0.261 . . . . 73.14 111.705 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -51.15 -46.91 62.17 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.871 0.367 . . . . 62.1 111.583 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -63.96 -35.55 81.05 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.922 0.342 . . . . 73.23 111.922 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -71.99 -37.46 69.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.843 0.354 . . . . 74.52 111.215 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -57.23 13.83 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 30' ' ' ALA . 3.9 pp -64.86 -26.28 68.26 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.456 -0.338 . . . . 74.02 111.836 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -70.25 -43.24 70.94 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.947 0.404 . . . . 72.25 111.503 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.0 mmm -87.39 14.3 8.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.324 -0.398 . . . . 72.41 111.867 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 53.84 2.95 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.446 0.535 . . . . 74.11 112.446 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.48 112.37 55.09 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 116.628 -0.26 . . . . 72.43 110.458 174.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.09 -12.37 17.58 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.791 2.327 . . . . 75.22 114.441 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -113.9 144.17 30.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 120.801 0.334 . . . . 72.32 111.774 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.25 147.53 83.56 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.04 2.494 . . . . 73.52 114.023 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.439 ' HA ' HD12 ' A' ' 40' ' ' ILE . 80.6 p -64.15 -33.23 75.31 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.74 -0.664 . . . . 74.31 112.107 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.93 -35.34 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.011 0.434 . . . . 64.42 111.487 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.4 ttmt -69.39 -42.64 74.85 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.939 0.4 . . . . 74.31 110.376 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.4 mt -55.1 -48.5 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 115.875 -0.602 . . . . 53.11 111.923 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.49 -35.77 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 112.624 0.602 . . . . 74.44 112.624 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.51 -2.68 58.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.638 0.977 . . . . 72.31 113.638 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 51' ' ' LEU . 79.2 mt -88.79 136.92 30.32 Favored Pre-proline 0 N--CA 1.473 0.681 0 O-C-N 122.048 -0.407 . . . . 71.11 111.285 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.26 170.65 19.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.632 2.221 . . . . 74.33 112.106 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.17 -46.51 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.555 0.576 . . . . 63.5 112.555 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 9.0 m-20 -62.38 -63.16 1.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.57 -33.84 66.54 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.851 0.315 . . . . 61.44 111.851 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HE1' HG23 ' A' ' 40' ' ' ILE . 82.1 t80 -62.83 -52.22 63.98 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.36 -0.382 . . . . 73.21 111.399 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -61.53 -29.55 70.07 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.114 0.483 . . . . 64.31 111.193 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 46.1 mt-10 -72.84 -40.97 65.31 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.666 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 43' ' ' LEU . 49.5 tp -52.8 -48.01 67.19 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.083 0.468 . . . . 73.24 110.951 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -57.38 -37.44 72.67 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.987 -0.551 . . . . 73.34 111.772 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.32 -18.31 55.37 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.594 0.59 . . . . 60.23 112.594 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.8 mtp180 -89.18 -4.16 58.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.215 0.45 . . . . 74.35 112.215 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 91.8 m-85 -129.7 137.48 31.01 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-O 120.593 0.235 . . . . 54.14 111.512 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 11.9 Cg_exo -70.27 73.86 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.788 2.325 . . . . 43.41 112.63 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.03 149.77 24.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.153 0.502 . . . . 65.32 111.635 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.5 p -85.83 157.69 20.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.365 -0.38 . . . . 54.12 110.522 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.14 -36.9 20.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.101 0.477 . . . . 72.23 111.434 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m -63.3 -42.55 99.04 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.04 -0.527 . . . . 72.52 111.321 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.8 mt-30 -65.91 -45.47 81.79 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.607 -0.269 . . . . 72.54 111.235 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.28 -35.73 72.22 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.904 0.383 . . . . 73.25 110.884 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.54 89.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.758 0.313 . . . . 53.42 111.095 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.57 -47.8 83.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.462 -0.335 . . . . 74.22 111.846 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 61' ' ' GLN . 58.6 t -56.49 -42.5 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.052 0.453 . . . . 71.13 111.116 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -66.89 -36.77 83.05 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.247 -0.433 . . . . 75.35 111.796 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.67 -50.03 74.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.276 0.56 . . . . 71.1 110.984 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.46 -42.9 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.816 -0.629 . . . . 74.03 111.312 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -39.44 93.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.628 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.99 -61.32 2.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.91 0.386 . . . . 74.24 111.24 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.966 HH22 ' HB3' ' A' ' 24' ' ' ASP . 47.1 mtm105 -66.57 -36.7 83.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.543 -0.299 . . . . 71.43 111.654 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.55 -49.08 76.84 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.417 -0.42 . . . . 62.3 112.96 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? . . . . . 0 CA--C 1.536 0.439 0 O-C-N 122.254 -0.556 . . . . 71.0 110.437 177.854 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 111.978 0.362 . . . . 72.23 111.978 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 43.5 mt-10 -51.78 -43.35 62.99 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.207 0.447 . . . . 75.41 112.207 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -53.16 -28.7 27.57 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.843 0.312 . . . . 74.52 111.843 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' N ' ' HD2' ' A' ' 27' ' ' ARG . 8.9 mpt_? -85.5 -42.71 14.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.14 0.495 . . . . 73.54 110.851 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.12 -53.58 56.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.033 -0.531 . . . . 61.11 111.886 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 4.1 pp -68.41 -30.23 69.08 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.918 0.34 . . . . 74.3 111.918 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -63.22 -32.84 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.104 0.478 . . . . 33.22 111.271 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.632 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 95.6 mmm -98.85 -14.6 19.56 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.152 -0.476 . . . . 71.43 111.345 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt 71.57 89.39 0.1 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.55 0.74 . . . . 74.13 112.091 -178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 35' ' ' PHE . 50.1 mm -106.77 118.45 54.26 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.699 -0.682 . . . . 72.32 110.939 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -78.65 18.75 0.93 Allowed 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.866 2.377 . . . . 72.4 114.661 -175.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' H ' HG22 ' A' ' 33' ' ' ILE . 27.8 p90 -149.18 146.56 21.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 121.961 -0.462 . . . . 74.53 111.68 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.04 150.85 84.86 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.923 2.415 . . . . 61.53 113.736 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.0 p -62.87 -35.95 81.68 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.622 -0.717 . . . . 72.33 112.737 -176.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.1 -43.71 95.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.942 0.401 . . . . 74.23 111.482 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -51.73 -42.04 61.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.287 0.565 . . . . 73.1 111.127 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.59 -43.1 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.603 -0.726 . . . . 75.0 112.654 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 69' ' ' ARG . 42.6 t -88.47 -35.88 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 112.317 0.488 . . . . 73.43 112.317 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -79.71 -23.22 42.51 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.639 0.978 . . . . 75.2 113.639 -173.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 HD22 ' A' ' 51' ' ' LEU . 34.1 mt -66.45 142.54 97.76 Favored Pre-proline 0 N--CA 1.476 0.866 0 O-C-N 121.996 -0.44 . . . . 64.24 111.779 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 159.07 34.89 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.292 1.995 . . . . 32.35 112.044 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.41 -44.95 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 113.123 0.786 . . . . 62.43 113.123 -172.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.01 -55.54 33.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.939 0.4 . . . . 61.23 111.362 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.87 -25.03 68.09 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.487 -0.324 . . . . 75.45 111.866 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 51' ' ' LEU . 77.0 t80 -67.92 -51.02 52.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.022 0.439 . . . . 71.11 110.809 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -60.99 -38.83 87.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.133 0.492 . . . . 74.31 110.786 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 55.2 mt-10 -73.54 -26.77 61.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.121 -0.491 . . . . 63.52 111.609 177.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 43' ' ' LEU . 55.8 tp -52.69 -42.62 64.95 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.246 0.546 . . . . 75.13 110.68 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 mt -72.09 -18.86 61.88 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.54 -0.755 . . . . 72.23 112.02 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.53 -34.44 15.54 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.152 0.501 . . . . 72.03 111.671 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 96.6 mtt180 -74.62 -33.99 62.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.043 -0.526 . . . . 73.33 110.856 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -110.14 127.96 26.17 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.541 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.08 108.52 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.774 2.316 . . . . 65.14 113.325 -176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 94.4 mt -130.17 148.91 52.06 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.031 0.443 . . . . 73.04 111.659 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -85.45 159.93 19.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.43 -0.35 . . . . 73.11 110.439 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.64 -50.04 7.53 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.387 0.884 . . . . 74.43 113.387 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 122.21 -0.306 . . . . 64.42 111.776 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.632 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 53.1 mt-30 -68.07 -40.65 82.69 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.586 0.232 . . . . 64.23 110.84 176.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.94 -44.04 97.82 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.17 0.51 . . . . 75.24 110.4 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.56 94.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.957 -0.565 . . . . 52.05 111.237 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.6 -50.14 72.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.245 -0.434 . . . . 73.14 111.449 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 61' ' ' GLN . 86.0 t -57.22 -44.68 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 120.978 0.418 . . . . 61.25 111.224 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.41 -27.69 68.72 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.824 0.345 . . . . 75.31 111.509 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 7.9 t70 -75.3 -44.69 44.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.88 0.371 . . . . 71.22 110.729 177.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.76 -43.81 84.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.507 -0.315 . . . . 64.21 110.726 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HA ' HG22 ' A' ' 41' ' ' VAL . 12.7 ttm180 -60.93 -37.25 81.64 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.644 0.259 . . . . 65.21 111.036 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 67' ' ' ASP . 30.7 ttm180 -60.51 -50.65 72.7 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.97 0.414 . . . . 74.02 111.01 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 24.9 mmm180 -67.53 -39.03 85.06 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.37 -0.377 . . . . 71.4 111.357 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -38.17 79.97 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.023 -0.608 . . . . 65.15 112.978 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm . . . . . 0 CA--C 1.535 0.4 0 O-C-N 122.63 -0.335 . . . . 73.42 110.971 177.397 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.2 m-20 . . . . . 0 CA--C 1.538 0.494 0 N-CA-C 112.218 0.451 . . . . 71.21 112.218 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -58.3 -48.64 79.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.185 0.517 . . . . 63.12 110.446 171.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 22.3 mtm180 -66.06 -32.64 74.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.869 -0.605 . . . . 73.13 111.724 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.541 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 80.3 mtp180 -60.38 -45.17 94.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 74.34 110.161 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.02 -57.2 12.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.566 -0.743 . . . . 71.12 112.161 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.5 pp -64.76 -31.86 73.29 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.208 0.447 . . . . 64.23 112.208 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.458 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -64.27 -45.63 87.2 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.315 0.578 . . . . 71.51 110.851 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.562 ' HG3' HD22 ' A' ' 64' ' ' LEU . 95.6 mmm -81.16 0.9 34.28 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.319 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm 64.44 39.24 7.09 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.689 0.626 . . . . 73.45 112.689 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.75 118.89 62.1 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.293 -0.412 . . . . 61.34 111.09 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.31 24.75 0.72 Allowed 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 123.044 2.496 . . . . 63.45 114.939 -173.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -148.8 150.98 34.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 122.158 -0.339 . . . . 60.44 111.682 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.01 145.19 66.73 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 123.015 2.477 . . . . 64.14 114.255 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.52 ' HA ' HD12 ' A' ' 40' ' ' ILE . 67.5 p -70.55 -43.44 69.53 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.79 -0.641 . . . . 74.41 112.606 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.09 -45.44 61.49 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.747 0.308 . . . . 74.32 111.491 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -57.0 -49.33 76.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.677 0.275 . . . . 73.15 110.906 175.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 37' ' ' THR . 77.1 mt -47.85 -47.9 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.223 0.535 . . . . 53.12 111.76 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 46.6 t -68.49 -37.89 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.918 -0.583 . . . . 63.21 111.929 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -93.73 2.39 56.28 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.186 0.809 . . . . 64.01 113.186 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 33.5 mt -80.45 141.28 52.67 Favored Pre-proline 0 N--CA 1.471 0.612 0 CA-C-O 120.997 0.427 . . . . 65.34 111.98 174.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.4 159.09 55.01 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.508 2.138 . . . . 73.11 111.24 170.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.87 -33.49 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.04 0.447 . . . . 75.53 111.747 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.0 -63.23 1.21 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.263 -0.426 . . . . 74.13 112.067 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.12 -30.75 70.84 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.081 0.4 . . . . 62.11 112.081 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.84 -54.23 45.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.812 0.339 . . . . 75.12 111.754 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.46 -33.27 67.78 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.965 0.412 . . . . 63.12 111.543 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.16 -39.39 63.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.472 -0.331 . . . . 74.21 111.272 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.5 tp -52.65 -47.29 67.21 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.006 0.431 . . . . 74.23 111.172 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -55.2 -47.26 75.53 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.955 -0.566 . . . . 63.5 111.798 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.88 -15.73 61.59 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.42 0.526 . . . . 42.44 112.42 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -83.81 -10.95 57.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.238 0.459 . . . . 75.33 112.238 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -118.89 152.36 51.55 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 120.847 0.356 . . . . 74.11 111.841 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.81 46.91 2.03 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 122.956 2.438 . . . . 64.12 113.155 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 80.9 mt -76.35 149.4 36.99 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.144 0.497 . . . . 61.11 111.92 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.0 p -90.18 161.77 15.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.18 -0.464 . . . . 54.21 111.122 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -53.61 -22.78 9.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.018 0.377 . . . . 72.54 112.018 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.7 m -80.69 -38.21 29.35 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.189 0.518 . . . . 74.41 110.942 174.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.0 mt-30 -69.86 -43.26 72.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.325 0.491 . . . . 75.44 112.325 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.21 -34.4 70.35 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.033 0.444 . . . . 72.05 110.892 175.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -50.06 67.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.28 -0.418 . . . . 24.33 110.943 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 31' ' ' MET . 52.1 tp -57.81 -46.08 85.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.45 -0.341 . . . . 71.31 111.787 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 61' ' ' GLN . 93.2 t -56.77 -47.59 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.172 0.511 . . . . 35.31 111.348 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -71.39 -25.5 62.38 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.344 -0.389 . . . . 72.33 111.621 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.51 -56.86 6.16 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.885 0.374 . . . . 71.44 110.656 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.53 -36.77 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.234 -0.439 . . . . 73.01 111.007 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 36.7 ttt-85 -59.22 -41.92 89.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.067 0.46 . . . . 72.42 110.674 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.1 -48.13 74.77 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.176 0.512 . . . . 52.55 110.158 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -49.21 -34.44 14.8 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.655 -0.702 . . . . 73.32 112.112 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.03 -49.04 4.16 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.379 -0.439 . . . . 71.13 113.294 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 N--CA 1.471 0.607 0 O-C-N 122.316 -0.52 . . . . 71.05 111.999 -177.444 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.545 0.774 0 CA-C-O 120.514 0.197 . . . . 74.24 111.35 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -50.34 -41.62 51.74 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.067 0.461 . . . . 53.41 111.202 172.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -61.81 -27.7 68.94 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.403 0.52 . . . . 73.42 112.403 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HB3' HD21 ' A' ' 64' ' ' LEU . 7.8 mpt_? -69.59 -44.67 70.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.104 0.478 . . . . 74.01 110.41 172.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -60.88 3.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.951 -0.568 . . . . 32.41 112.122 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -61.72 -26.05 67.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.276 0.472 . . . . 75.42 112.276 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -70.59 -37.88 73.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 62.11 111.757 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.533 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.8 mmm -101.07 23.01 11.39 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.138 0.422 . . . . 64.45 112.138 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.57 36.6 19.8 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.352 0.501 . . . . 75.45 112.352 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -83.92 105.72 6.34 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 116.546 -0.297 . . . . 75.31 110.496 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.62 14.99 1.7 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.55 2.167 . . . . 70.53 114.616 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -132.62 143.42 48.65 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 122.015 -0.428 . . . . 74.5 111.625 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.73 150.97 79.36 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.112 2.541 . . . . 64.03 114.048 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.8 p -61.45 -28.81 69.54 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.3 -0.409 . . . . 62.33 111.714 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.35 -53.08 39.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 74.41 110.903 173.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -55.79 -43.81 77.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.978 -0.555 . . . . 74.24 111.267 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.74 -44.89 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 121.132 0.492 . . . . 73.03 111.935 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.19 -31.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 112.28 0.474 . . . . 74.23 112.28 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.457 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -77.77 -46.27 22.17 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.325 0.491 . . . . 71.03 112.325 -176.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.9 137.05 97.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.029 0.442 . . . . 73.22 112.188 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.99 171.77 15.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.519 2.146 . . . . 65.21 111.935 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.09 -30.93 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.944 0.402 . . . . 70.2 111.133 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.98 -62.55 1.58 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.964 -0.562 . . . . 72.24 111.283 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -70.25 -30.65 67.76 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.413 -0.358 . . . . 71.32 111.755 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -58.3 -48.74 79.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 73.31 111.373 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.31 -42.63 87.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.213 0.53 . . . . 70.44 111.399 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.0 mm-40 -72.05 -33.53 68.04 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.074 -0.512 . . . . 61.34 111.444 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.5 tp -59.45 -52.54 65.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.205 0.526 . . . . 71.54 110.49 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.431 HD21 HG11 ' A' ' 65' ' ' VAL . 84.2 mt -63.64 -19.25 64.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.613 -0.722 . . . . 75.13 111.738 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.67 -32.12 18.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.888 0.329 . . . . 72.0 111.888 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 88.5 mtt-85 -72.01 -42.48 66.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.002 0.429 . . . . 61.13 111.491 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -86.19 143.37 36.9 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.391 -0.368 . . . . 72.12 110.922 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.87 43.4 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.912 2.408 . . . . 65.13 113.197 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.51 148.14 48.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.171 0.51 . . . . 64.51 111.744 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.1 p -92.1 161.76 14.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.078 -0.51 . . . . 64.12 110.353 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -47.77 -42.7 26.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.853 0.359 . . . . 73.14 111.957 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 m -57.39 -35.48 70.06 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.077 0.465 . . . . 74.04 111.412 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.5 mt-30 -77.36 -46.93 21.25 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.659 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.4 -46.13 80.28 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.852 0.358 . . . . 71.4 111.282 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.44 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.279 -0.418 . . . . 73.34 111.686 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.533 HD22 ' HG3' ' A' ' 31' ' ' MET . 57.8 tp -64.5 -46.63 82.12 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.727 0.298 . . . . 63.03 111.566 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -54.26 -37.01 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.083 0.468 . . . . 72.54 111.058 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -62.88 -47.62 82.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.323 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.79 -42.26 97.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.23 111.134 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.27 -45.55 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.306 -0.406 . . . . 74.32 111.326 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.6 ttt85 -60.42 -45.31 94.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.794 0.33 . . . . 72.45 111.722 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.11 -54.43 41.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.384 -0.371 . . . . 74.15 111.415 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 71' ' ' ARG . 44.2 mtp180 -69.68 -33.01 71.96 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.011 0.374 . . . . 74.52 112.011 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -49.29 52.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 121.203 -0.522 . . . . 73.03 113.137 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.0 ttmt . . . . . 0 CA--C 1.542 0.658 0 O-C-N 122.482 -0.422 . . . . 72.04 111.417 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 120.662 0.268 . . . . 40.03 111.307 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -53.8 -48.69 69.57 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.987 0.422 . . . . 60.44 111.297 173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.8 mmm-85 -57.8 -29.28 64.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.992 -0.549 . . . . 70.03 111.706 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HB3' HD11 ' A' ' 64' ' ' LEU . 90.9 mtt180 -78.24 -42.19 31.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.193 0.52 . . . . 63.3 110.822 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.37 61.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.891 -0.595 . . . . 53.13 111.867 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.55 -22.75 66.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.93 0.395 . . . . 74.45 111.933 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.17 63.53 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.918 0.389 . . . . 55.54 111.688 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.3 mmm -106.21 14.02 28.13 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 111.969 0.359 . . . . 64.22 111.969 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mttp 60.28 38.66 19.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.109 0.781 . . . . 74.14 113.109 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.7 mm -65.27 115.5 22.12 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 120.525 0.202 . . . . 71.21 110.878 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -86.25 21.89 1.02 Allowed 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.06 2.507 . . . . 64.41 114.568 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.451 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 33.6 p90 -147.08 154.36 46.39 Favored Pre-proline 0 N--CA 1.472 0.635 0 O-C-N 122.035 -0.416 . . . . 64.04 111.723 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 22.4 Cg_endo -59.63 137.38 76.97 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.225 2.617 . . . . 45.4 114.482 -173.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 -40.25 84.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.779 -0.646 . . . . 71.02 111.862 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.72 -36.16 66.91 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.965 0.412 . . . . 74.32 111.432 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.37 -41.34 98.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.776 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.55 -35.73 60.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.358 0.599 . . . . 54.33 111.212 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.71 -40.82 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 115.762 -0.654 . . . . 43.41 112.308 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -89.03 -17.6 29.03 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.35 0.87 . . . . 61.42 113.35 -170.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.47 136.3 45.89 Favored Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 121.909 -0.494 . . . . 74.1 111.144 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.3 157.34 62.25 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.017 1.811 . . . . 64.52 112.048 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.17 -32.53 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.112 0.482 . . . . 51.32 112.128 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.18 -55.93 28.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.169 -0.468 . . . . 72.31 111.83 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -30.17 64.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.392 -0.367 . . . . 73.32 111.312 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 65' ' ' VAL . 89.5 t80 -53.26 -45.37 68.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.921 0.391 . . . . 71.43 111.431 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.56 -40.93 84.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.23 -0.441 . . . . 71.23 111.469 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 47.3 mt-10 -68.41 -40.15 81.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.931 0.396 . . . . 72.11 111.202 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.25 -46.9 76.05 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.103 0.478 . . . . 51.55 111.144 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.46 -31.09 71.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.968 -0.56 . . . . 64.54 112.067 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.34 -20.69 40.11 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.323 0.49 . . . . 72.34 112.323 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -83.92 -39.9 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.374 0.509 . . . . 63.03 112.374 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -95.64 131.6 29.08 Favored Pre-proline 0 N--CA 1.472 0.632 0 N-CA-C 112.34 0.496 . . . . 74.04 112.34 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.43 90.16 0.22 Allowed 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.654 2.236 . . . . 71.3 112.562 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 85.6 mt -114.04 148.86 36.31 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.068 0.461 . . . . 63.32 111.851 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.1 p -84.68 159.77 20.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.369 -0.378 . . . . 64.2 110.212 171.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -49.81 -37.7 31.46 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.974 0.416 . . . . 71.42 111.746 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 m -63.34 -37.35 86.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.217 -0.447 . . . . 62.34 111.479 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.445 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.9 mt-30 -72.6 -44.6 61.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.563 -0.29 . . . . 74.42 111.669 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.27 -42.99 74.27 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.628 0.251 . . . . 51.21 111.033 176.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.71 -48.44 66.63 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.876 0.37 . . . . 52.44 111.594 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 27' ' ' ARG . 68.6 tp -61.58 -49.83 75.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.551 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -55.66 -40.78 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.238 0.542 . . . . 62.03 111.244 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -61.71 -45.49 93.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.056 -0.52 . . . . 73.42 111.34 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.47 -46.14 87.55 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.404 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.0 -44.09 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.307 -0.406 . . . . 62.11 111.527 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -54.89 -50.91 67.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.938 0.399 . . . . 72.22 111.006 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -62.08 -49.84 74.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.211 -0.449 . . . . 74.44 111.747 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.67 -53.2 59.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.025 0.44 . . . . 73.43 111.313 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.17 96.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.123 -0.489 . . . . 72.43 113.407 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 1.7 tpmt? . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 120.793 0.33 . . . . 75.12 111.616 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 111.987 0.366 . . . . 70.21 111.987 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -48.54 -38.69 21.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.51 0.559 . . . . 55.03 112.51 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -52.21 -36.01 50.96 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.924 0.713 . . . . 70.14 112.924 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -37.43 47.39 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.749 0.309 . . . . 74.11 111.439 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -50.94 69.21 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.065 0.46 . . . . 62.34 111.781 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.27 -23.14 61.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.495 0.554 . . . . 73.14 112.495 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.5 33.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.878 0.371 . . . . 54.42 111.983 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.546 ' HG3' HD22 ' A' ' 64' ' ' LEU . 94.7 mmm -108.4 9.84 27.59 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 111.889 0.329 . . . . 65.3 111.889 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.46 72.19 0.54 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.179 0.514 . . . . 73.45 112.359 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 105.95 45.68 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.528 -0.305 . . . . 63.02 110.494 174.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.13 20.61 0.64 Allowed 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.833 2.355 . . . . 53.23 114.273 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -146.67 139.5 14.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-O 120.88 0.371 . . . . 61.42 111.161 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -62.36 141.53 87.61 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.89 2.393 . . . . 73.3 113.756 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.421 ' HA ' HD12 ' A' ' 40' ' ' ILE . 58.6 p -53.86 -33.62 56.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.158 -0.474 . . . . 73.33 112.014 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.42 -48.45 62.67 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.876 0.37 . . . . 74.43 111.406 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.85 -45.73 91.5 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.937 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 37' ' ' THR . 68.6 mt -52.45 -36.24 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.143 -0.48 . . . . 71.14 112.269 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.63 -46.22 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.674 0.62 . . . . 65.34 112.674 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -78.29 -13.88 59.66 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.606 0.965 . . . . 71.43 113.606 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 43' ' ' LEU . 21.4 mt -65.48 145.63 99.04 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-O 121.055 0.455 . . . . 70.42 111.963 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.25 146.84 82.39 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.172 1.915 . . . . 72.34 111.089 168.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -49.19 -38.69 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 112.972 0.73 . . . . 63.1 112.972 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.12 -52.79 53.22 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.016 -0.428 . . . . 62.43 111.99 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.38 -23.85 67.59 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.752 0.31 . . . . 52.15 111.489 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -65.86 -50.61 63.92 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.891 0.377 . . . . 73.13 110.741 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.16 -36.69 82.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.768 0.318 . . . . 63.41 111.113 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.7 mm-40 -60.65 -46.97 88.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 74.01 110.849 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.5 tp -49.83 -52.75 30.02 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.571 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.79 -25.26 66.38 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.114 -0.493 . . . . 73.01 111.995 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.92 -13.83 43.64 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 111.914 0.339 . . . . 72.2 111.914 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 21.5 mtp180 -94.25 -48.16 6.3 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 111.901 0.334 . . . . 71.52 111.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -78.83 136.73 58.32 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.787 0.292 . . . . 40.23 111.787 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.89 47.61 2.39 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.019 2.48 . . . . 64.42 113.031 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -72.0 152.79 42.2 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.006 0.431 . . . . 64.24 111.638 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -81.37 159.64 24.31 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.361 -0.381 . . . . 64.44 110.97 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -49.24 -48.25 45.84 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.541 0.571 . . . . 74.44 112.541 -176.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -54.12 -33.59 58.17 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.761 0.315 . . . . 53.41 111.763 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.5 mt-30 -75.99 -46.16 30.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.377 -0.374 . . . . 73.22 111.685 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.52 -47.01 85.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.817 0.342 . . . . 71.31 110.954 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.91 -40.16 72.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.998 0.427 . . . . 71.42 111.31 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.2 tp -62.83 -56.55 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.255 177.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 61' ' ' GLN . 79.1 t -53.62 -44.31 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 120.919 0.39 . . . . 54.43 111.847 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -58.68 -35.73 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.361 -0.381 . . . . 71.34 111.576 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.3 -30.08 30.76 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.914 0.388 . . . . 60.13 111.345 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 64' ' ' LEU . 65.0 mt -62.35 -42.39 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 75.15 110.955 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -61.66 -34.96 76.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.945 0.402 . . . . 71.32 110.818 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -61.95 -59.91 4.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 70.41 111.441 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -66.92 -41.01 87.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.459 . . . . 75.22 111.272 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.39 97.48 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.829 -0.623 . . . . 51.52 113.209 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt . . . . . 0 CA--C 1.54 0.563 0 O-C-N 122.043 -0.68 . . . . 75.52 111.332 177.686 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 CA--C 1.54 0.584 0 CA-C-O 120.942 0.401 . . . . 62.14 111.573 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.77 -48.64 76.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.462 -0.336 . . . . 62.03 111.558 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -60.98 -28.58 69.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.854 0.359 . . . . 75.54 111.456 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.541 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 3.1 mmp_? -71.43 -40.23 70.54 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.07 0.462 . . . . 74.41 110.594 173.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.522 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -61.99 -55.04 33.36 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.867 -0.606 . . . . 62.53 111.615 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.15 -21.03 65.83 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.219 0.452 . . . . 63.33 112.219 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.43 97.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.169 0.509 . . . . 71.51 110.842 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.3 mmm -92.65 9.11 36.22 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.099 -0.501 . . . . 65.22 110.809 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 54.66 65.64 1.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.616 -0.72 . . . . 53.11 112.561 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.522 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.4 mm -94.63 113.42 61.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.519 -0.764 . . . . 73.43 110.562 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.06 30.19 0.54 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.814 2.343 . . . . 71.24 114.527 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -152.27 151.67 27.92 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 111.825 0.306 . . . . 72.21 111.825 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -66.84 142.8 64.34 Favored 'Trans proline' 0 N--CA 1.484 0.956 0 C-N-CA 123.127 2.552 . . . . 73.04 114.229 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 79.6 p -65.88 -43.08 89.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.068 -0.514 . . . . 72.42 112.17 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 -40.39 76.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.327 0.491 . . . . 71.15 112.327 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.0 ttmt -60.46 -46.57 89.57 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.225 -0.297 . . . . 73.32 111.167 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 65' ' ' VAL . 64.7 mt -49.39 -41.15 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.437 0.637 . . . . 53.34 111.336 177.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.491 HG21 ' HA3' ' A' ' 72' ' ' GLY . 58.7 t -67.98 -33.88 63.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.468 -0.787 . . . . 61.55 112.454 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -93.65 -5.84 47.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.805 0.668 . . . . 73.35 112.805 -175.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 82.6 mt -80.24 142.34 54.81 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 111.672 0.249 . . . . 71.42 111.672 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.05 154.73 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.355 2.036 . . . . 60.0 111.415 172.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.3 -34.41 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 112.327 0.492 . . . . 55.31 112.327 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.54 -62.46 1.71 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.105 0.478 . . . . 63.45 111.446 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.27 -24.93 67.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.369 -0.378 . . . . 72.42 111.912 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.47 -47.96 79.63 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.132 0.491 . . . . 64.33 110.393 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.8 -45.81 92.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.992 -0.549 . . . . 71.14 110.87 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 28.1 mm-40 -60.07 -40.2 88.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.304 -0.407 . . . . 71.25 111.326 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.18 -51.46 69.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.95 0.405 . . . . 74.22 111.254 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' ' 62' ' ' LEU . 93.8 mt -65.32 -28.81 69.57 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.42 34.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.936 0.347 . . . . 72.23 111.936 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -65.55 -54.12 32.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.804 0.335 . . . . 73.12 111.354 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.25 135.67 47.21 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 116.456 -0.338 . . . . 64.02 111.161 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.32 50.52 2.3 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.753 2.302 . . . . 63.12 113.392 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 62.7 mt -75.35 140.49 43.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.674 0.274 . . . . 61.3 111.19 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.0 p -78.0 157.26 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.24 -0.287 . . . . 71.04 110.306 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.23 -34.5 10.3 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.539 0.57 . . . . 54.3 112.539 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -60.72 -43.92 97.26 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.026 0.441 . . . . 54.4 111.394 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.5 mt-30 -67.17 -42.76 83.71 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.322 -0.399 . . . . 54.31 111.183 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.3 mp -59.09 -42.66 90.97 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.624 0.25 . . . . 75.32 110.884 175.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.36 65.23 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.89 0.376 . . . . 34.01 111.606 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 68' ' ' ILE . 64.7 tp -69.42 -51.7 33.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.463 -0.335 . . . . 72.32 111.142 175.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 40' ' ' ILE . 61.8 t -55.11 -44.67 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 120.935 0.398 . . . . 72.21 111.792 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 39.7 mtp-105 -57.19 -42.15 80.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.129 0.49 . . . . 72.21 110.983 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.39 -41.46 89.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.974 -0.557 . . . . 75.23 110.855 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 37' ' ' THR . 81.7 mt -56.11 -43.63 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.917 0.389 . . . . 72.3 111.471 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 69' ' ' ARG . 5.9 tmm_? -58.45 -40.31 82.28 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.361 -0.381 . . . . 63.33 110.81 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -66.1 -41.94 89.92 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.784 0.326 . . . . 51.1 111.051 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -53.08 -51.21 62.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.861 0.465 . . . . 70.42 112.009 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.491 ' HA3' HG21 ' A' ' 41' ' ' VAL . . . -75.59 -44.49 20.77 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.126 -0.559 . . . . 63.14 113.541 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 N--CA 1.47 0.532 0 O-C-N 122.459 -0.436 . . . . 62.45 111.263 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 111.971 0.36 . . . . 73.05 111.971 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.07 -30.54 59.86 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.588 0.233 . . . . 60.44 111.57 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -58.86 -32.03 69.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.836 0.309 . . . . 71.02 111.836 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.511 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.2 mpt_? -74.33 -40.74 62.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.978 0.418 . . . . 71.31 110.398 174.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.12 82.32 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.97 -0.559 . . . . 54.12 111.628 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.13 -23.45 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.133 0.42 . . . . 74.13 112.133 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.7 88.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.424 . . . . 64.22 110.841 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.411 ' HG3' HD22 ' A' ' 64' ' ' LEU . 94.4 mmm -92.66 -2.98 55.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.252 -0.431 . . . . 75.55 111.403 175.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 61.73 82.04 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.605 0.717 . . . . 70.01 112.414 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.457 HG22 ' H ' ' A' ' 35' ' ' PHE . 48.5 mm -102.05 128.77 27.81 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 115.296 -0.866 . . . . 74.4 110.789 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -83.49 20.67 1.14 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.918 2.412 . . . . 75.5 114.714 -175.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.457 ' H ' HG22 ' A' ' 33' ' ' ILE . 34.5 p90 -151.52 152.3 30.37 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 122.128 -0.357 . . . . 71.44 111.564 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.16 155.13 42.16 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.944 2.43 . . . . 63.55 113.944 -174.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' HD12 ' A' ' 40' ' ' ILE . 68.2 p -64.95 -34.56 78.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.687 -0.688 . . . . 73.04 111.87 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -55.27 -45.56 76.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.96 0.41 . . . . 74.35 111.376 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.84 -39.99 87.01 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.169 -0.469 . . . . 70.52 110.995 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.6 mt -59.37 -31.42 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.121 0.486 . . . . 74.41 111.62 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.45 -52.65 11.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 112.64 0.607 . . . . 75.51 112.64 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.3 -22.47 61.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.366 0.876 . . . . 74.41 113.366 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.46 139.5 86.77 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 122.029 -0.42 . . . . 63.41 111.272 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.72 160.58 47.56 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.0 1.8 . . . . 71.43 112.08 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.3 p -47.68 -37.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.515 0.561 . . . . 74.34 112.515 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.9 -62.25 2.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.806 0.336 . . . . 75.44 111.447 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 -25.9 64.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.344 -0.389 . . . . 62.15 111.737 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -67.75 -50.36 57.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.916 0.388 . . . . 74.42 110.876 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.05 -38.93 87.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.276 0.56 . . . . 55.11 110.753 176.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.41 -33.92 75.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.071 -0.513 . . . . 71.24 111.078 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.59 -45.56 77.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.496 0.665 . . . . 75.42 110.807 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.89 -27.16 68.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.364 -0.835 . . . . 74.4 111.875 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.52 21.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.319 0.489 . . . . 74.41 112.319 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -80.53 -42.27 22.74 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.115 0.413 . . . . 75.41 112.115 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -95.23 128.45 38.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 122.348 -0.22 . . . . 75.42 111.354 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.4 105.79 0.37 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.634 2.223 . . . . 75.21 112.845 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 88.7 mt -133.36 150.37 51.83 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.057 0.456 . . . . 74.43 111.542 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -82.54 157.4 23.54 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 73.42 110.382 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.63 -39.99 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.214 0.45 . . . . 73.32 112.214 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -61.6 -36.53 80.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.804 0.335 . . . . 75.42 111.501 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.9 mt-30 -70.93 -43.04 69.05 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.502 -0.317 . . . . 74.23 111.352 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.85 -47.49 82.54 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.118 0.485 . . . . 72.12 110.651 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.86 78.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.025 -0.534 . . . . 70.31 111.629 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 27' ' ' ARG . 59.3 tp -62.89 -50.52 70.58 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.431 176.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 61' ' ' GLN . 92.9 t -52.85 -40.25 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.149 0.5 . . . . 72.21 111.409 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -61.85 -45.94 91.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.04 -0.527 . . . . 74.31 111.285 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.65 -40.95 84.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.031 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.79 -38.2 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.83 -0.623 . . . . 61.14 111.508 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -68.52 -40.13 80.9 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.107 -0.371 . . . . 74.11 111.307 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.585 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 1.2 tpm_? -58.65 -36.86 74.81 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.179 0.514 . . . . 74.03 110.554 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -68.75 -62.1 1.53 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.991 -0.55 . . . . 75.14 111.826 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.05 96.22 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 116.102 -0.499 . . . . 73.31 114.215 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.7 tptp . . . . . 0 CA--C 1.537 0.458 0 O-C-N 122.318 -0.519 . . . . 74.44 111.137 -178.05 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 121.044 0.45 . . . . 73.14 111.809 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -63.91 88.46 0.07 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 115.183 0.833 . . . . 64.23 115.183 -171.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -80.96 62.87 5.12 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 109.399 -0.593 . . . . 63.1 109.399 169.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -62.84 114.12 3.45 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.892 -0.594 . . . . 73.31 112.159 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -68.35 105.9 2.31 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.083 0.468 . . . . 61.31 110.84 175.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -71.14 156.76 39.21 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.198 -0.455 . . . . 72.13 112.103 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.8 t60 -134.91 139.36 44.91 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.009 0.433 . . . . 72.31 111.2 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -141.14 130.71 23.98 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.399 -0.364 . . . . 54.43 111.265 178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 m -88.58 149.46 23.57 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.807 0.337 . . . . 52.51 111.297 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.47 140.92 36.84 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.053 0.454 . . . . 65.43 111.919 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 59.9 mtm -126.45 166.95 16.27 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.246 -0.434 . . . . 72.21 111.086 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -159.77 103.79 1.54 Allowed 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.395 0.517 . . . . 62.3 112.395 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -106.75 123.43 38.64 Favored Pre-proline 0 N--CA 1.472 0.657 0 CA-C-N 116.367 -0.379 . . . . 51.01 110.815 178.163 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.51 113.41 1.99 Allowed 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.674 2.249 . . . . 74.25 113.011 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.7 p -81.04 81.47 7.27 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.341 0.591 . . . . 52.14 111.085 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.98 102.28 4.76 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.066 -0.515 . . . . 52.02 111.981 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -119.41 166.85 12.55 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.044 0.45 . . . . 74.12 111.403 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -148.92 71.81 0.3 Allowed Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.382 -0.437 . . . . 52.4 112.134 176.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -107.39 157.42 17.98 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.18 0.514 . . . . 74.42 112.202 -172.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.3 -16.42 24.73 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.117 -0.492 . . . . 43.22 111.289 175.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.99 43.76 7.44 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-N 116.297 -0.41 . . . . 63.14 113.455 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.539 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 29.4 t -78.46 147.0 34.12 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 120.919 0.39 . . . . 23.31 111.652 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 23' ' ' ARG . 31.8 ttp180 -52.64 -57.58 9.59 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.923 -0.58 . . . . 74.0 112.265 -179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.19 -25.74 67.24 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.894 -0.594 . . . . 72.3 111.97 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 41.4 mm-40 -58.01 -45.32 87.07 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.038 0.447 . . . . 73.02 110.968 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.468 ' HE ' ' N ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -66.91 -34.41 77.72 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.417 -0.356 . . . . 64.14 111.352 177.406 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -58.21 -50.02 75.0 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.396 0.617 . . . . 52.23 110.661 173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.73 -53.41 58.68 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 115.524 -0.762 . . . . 74.43 112.431 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -68.8 -24.17 64.37 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.549 0.574 . . . . 71.34 112.549 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -49.9 14.27 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.208 0.527 . . . . 42.14 111.252 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.549 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.9 mmm -83.05 0.89 42.81 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.307 -0.406 . . . . 74.43 111.317 177.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm 62.68 62.92 1.04 Allowed 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.626 0.727 . . . . 73.03 112.314 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 35' ' ' PHE . 46.4 mm -95.3 125.03 51.66 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-N 115.619 -0.718 . . . . 73.35 110.613 177.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 1.1 Cg_endo -83.09 16.57 1.83 Allowed 'Trans proline' 0 CA--C 1.546 1.111 0 C-N-CA 122.872 2.382 . . . . 64.21 114.604 -175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' H ' HG22 ' A' ' 33' ' ' ILE . 31.4 p90 -146.7 148.22 32.68 Favored Pre-proline 0 N--CA 1.473 0.718 0 O-C-N 122.174 -0.328 . . . . 63.41 111.544 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -64.31 145.61 88.72 Favored 'Trans proline' 0 CA--C 1.544 1.014 0 C-N-CA 123.107 2.538 . . . . 74.55 114.364 -173.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.1 p -64.47 -38.88 92.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.702 -0.681 . . . . 43.53 112.496 -178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -57.68 -44.52 85.84 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.994 0.426 . . . . 75.2 111.461 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -55.5 -41.35 72.96 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.054 0.454 . . . . 73.22 111.015 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.457 ' O ' ' HG2' ' A' ' 69' ' ' ARG . 56.3 mt -57.22 -35.45 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-O 121.381 0.61 . . . . 73.1 111.734 177.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.27 -45.25 19.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.196 0.522 . . . . 64.34 112.26 -177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -79.3 -25.71 42.36 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.313 0.857 . . . . 65.12 113.313 -170.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.458 HD12 HD22 ' A' ' 51' ' ' LEU . 51.2 mt -71.82 145.79 89.84 Favored Pre-proline 0 N--CA 1.472 0.66 0 N-CA-C 111.985 0.365 . . . . 74.24 111.985 178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.06 167.28 27.58 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 122.769 2.313 . . . . 73.13 112.286 175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.5 p -55.39 -40.16 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 N-CA-C 112.172 0.434 . . . . 71.42 112.172 -176.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.59 -62.0 1.98 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.1 0.476 . . . . 70.41 111.549 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.08 -36.68 84.4 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.948 -0.569 . . . . 61.1 110.767 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -57.12 -49.94 74.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 122.846 0.458 . . . . 73.35 111.922 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -56.06 -48.85 75.28 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.053 0.454 . . . . 75.04 111.422 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.4 mt-10 -63.56 -39.01 93.3 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.328 -0.396 . . . . 62.15 111.358 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.458 HD22 HD12 ' A' ' 43' ' ' LEU . 61.8 tp -54.69 -42.96 72.05 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.143 0.497 . . . . 63.42 110.726 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 HD21 HG11 ' A' ' 65' ' ' VAL . 63.3 mt -64.08 -54.62 31.23 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.445 0.64 . . . . 74.23 111.191 176.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.91 -26.92 67.8 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.173 0.805 . . . . 54.12 113.173 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 81.5 mtp180 -76.91 -30.87 56.33 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 112.241 0.46 . . . . 74.13 112.241 -178.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -101.23 137.88 19.8 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.067 0.395 . . . . 73.03 112.067 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -67.62 83.85 0.4 Allowed 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.467 2.111 . . . . 61.53 112.808 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD11 ' CE1' ' A' ' 35' ' ' PHE . 91.6 mt -111.32 143.09 42.66 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.013 -0.54 . . . . 71.03 111.795 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.41 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 41.5 p -80.79 172.96 13.1 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.176 -0.466 . . . . 70.24 110.78 173.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -65.2 -31.17 72.21 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.902 0.382 . . . . 71.14 110.918 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.6 p -73.33 -42.47 62.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.061 -0.518 . . . . 63.21 111.294 176.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 65' ' ' VAL . 53.7 mt-30 -61.24 -48.97 79.01 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.763 0.315 . . . . 71.05 110.915 175.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.55 -40.7 72.24 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.404 -0.362 . . . . 64.12 111.489 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.67 81.88 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 120.867 0.365 . . . . 72.44 111.129 176.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.549 HD22 ' HG3' ' A' ' 31' ' ' MET . 49.9 tp -62.55 -48.13 80.83 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.346 -0.388 . . . . 61.25 111.452 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 61' ' ' GLN . 42.1 t -55.56 -42.71 69.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-O 121.078 0.466 . . . . 71.2 111.131 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -61.15 -34.96 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.118 -0.492 . . . . 73.14 111.839 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 28.3 t70 -76.27 -50.82 13.37 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.56 -0.291 . . . . 63.32 111.209 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 60.0 mt -54.38 -43.51 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 CA-C-O 120.694 0.283 . . . . 42.03 111.258 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -48.42 -45.2 35.85 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 121.287 0.565 . . . . 70.13 109.866 174.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -74.26 -39.35 63.07 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.758 -0.655 . . . . 73.43 111.779 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 22.4 mmt180 -58.84 -50.2 74.87 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 120.945 0.402 . . . . 73.04 111.545 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.63 -40.55 85.75 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.709 -0.758 . . . . 42.1 112.331 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -62.38 -31.51 72.18 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.712 0.291 . . . . 73.5 111.381 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.433 ' HA ' ' HB3' ' A' ' 77' ' ' ALA . 66.4 t30 -58.68 -29.87 66.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.807 0.337 . . . . 64.02 111.386 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -62.72 -38.14 89.3 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.0 0.429 . . . . 74.31 110.368 175.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.7 t -75.07 -37.34 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 121.363 0.601 . . . . 73.11 110.235 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' A' ' 74' ' ' ASN . . . -60.52 -28.27 68.27 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.013 -0.539 . . . . 72.31 111.353 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.77 -29.09 64.55 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.953 0.406 . . . . 74.15 111.156 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -90.45 -33.33 16.03 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 121.14 0.495 . . . . 62.24 110.964 175.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -98.39 26.3 5.58 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 116.186 -0.461 . . . . 64.14 111.83 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -75.71 129.72 37.54 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.146 0.498 . . . . 70.43 111.75 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -73.13 109.55 6.74 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.885 -0.598 . . . . 73.31 110.999 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -82.8 133.51 35.14 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.988 0.423 . . . . 44.14 111.613 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.4 ptt85 -153.82 177.17 11.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 71.01 110.238 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.0 133.19 31.38 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 121.011 0.434 . . . . 73.21 111.08 175.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 tp -85.43 118.3 24.88 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.832 -0.432 . . . . 45.14 109.832 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -52.21 96.9 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.256 0.55 . . . . 71.24 111.584 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 57.8 m -91.65 133.75 35.3 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 115.736 -0.666 . . . . 62.03 111.455 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -88.37 111.32 22.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-O 120.966 0.412 . . . . 55.2 111.1 178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.9 m -93.28 157.22 2.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.923 0.392 . . . . 71.31 111.401 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 . . . . . 0 C--O 1.25 1.123 0 N-CA-C 111.951 0.352 . . . . 64.13 111.951 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 ttm . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 120.46 0.171 . . . . 63.21 111.19 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.05 -39.3 27.91 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 121.264 -0.493 . . . . 31.01 113.05 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 71.0 t60 -46.53 110.21 0.26 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.014 0.746 . . . . 72.12 113.014 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 67.72 11.79 8.54 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 112.737 0.643 . . . . 41.13 112.737 173.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -81.54 97.07 7.65 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.961 -0.462 . . . . 74.13 111.346 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -131.61 150.41 52.16 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 120.865 0.365 . . . . 60.44 111.39 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -90.97 179.42 5.76 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-O 121.392 0.615 . . . . 71.2 112.174 -178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -141.35 114.98 8.98 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.109 -0.496 . . . . 75.12 110.877 175.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -142.96 175.16 10.05 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-O 120.923 0.392 . . . . 61.34 111.441 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -158.28 148.82 20.36 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 116.286 -0.415 . . . . 64.22 111.225 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -106.86 136.42 46.73 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 120.88 0.372 . . . . 52.33 110.978 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.73 101.11 7.38 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.413 0.523 . . . . 70.32 112.413 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -72.6 125.02 91.46 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 112.31 0.485 . . . . 62.33 112.31 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -92.97 173.84 1.89 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.025 2.483 . . . . 65.21 112.664 173.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.1 p -126.48 128.88 47.63 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.836 0.351 . . . . 74.22 110.895 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -95.53 114.33 26.08 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.221 0.452 . . . . 74.31 112.221 -176.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -133.63 98.74 4.28 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.855 0.359 . . . . 73.23 110.815 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.69 70.88 2.86 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 121.203 -0.522 . . . . 14.11 112.926 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -134.07 139.54 46.04 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 111.907 0.336 . . . . 54.13 111.907 -174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 179.16 142.22 0.12 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 122.793 0.437 . . . . 72.14 111.67 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.87 -67.36 0.76 Allowed Glycine 0 CA--C 1.532 1.11 0 C-N-CA 121.321 -0.466 . . . . 63.0 113.229 178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m -111.69 170.44 8.13 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 122.473 -0.427 . . . . 65.11 111.591 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 26' ' ' ARG . 36.6 ttm180 -57.09 -52.05 66.85 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.859 0.318 . . . . 63.13 111.859 -179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.649 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 14.7 m-20 -58.94 -27.91 65.76 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.219 0.452 . . . . 62.41 112.219 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -69.46 -26.08 64.41 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 120.821 0.343 . . . . 72.42 111.115 177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 23' ' ' ARG . 35.2 mmt180 -61.4 -42.15 98.27 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.789 0.328 . . . . 63.25 111.29 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.649 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 4.9 mpt_? -56.4 -42.51 78.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 116.308 -0.405 . . . . 73.12 111.474 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.84 -58.04 8.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.306 -0.406 . . . . 73.35 111.976 -178.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -65.33 -33.13 75.25 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 112.285 0.476 . . . . 73.53 112.285 -177.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -65.5 -46.79 78.31 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.902 0.382 . . . . 75.41 111.595 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.578 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.6 mmm -89.11 4.29 48.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.415 -0.357 . . . . 74.32 111.737 178.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.7 mmpt? 61.9 31.1 18.27 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.595 0.591 . . . . 72.34 112.595 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.414 HD13 HE21 ' A' ' 61' ' ' GLN . 50.3 mm -57.5 117.23 17.22 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 122.342 0.257 . . . . 75.53 111.229 178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.66 13.03 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.175 0 C-N-CA 122.976 2.451 . . . . 73.4 114.839 -172.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.401 ' CE1' HD11 ' A' ' 57' ' ' LEU . 31.0 p90 -145.45 149.3 40.33 Favored Pre-proline 0 N--CA 1.473 0.715 0 O-C-N 122.157 -0.339 . . . . 73.21 111.507 178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -75.0 155.43 42.92 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 122.838 2.358 . . . . 64.43 114.315 -172.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 81.2 p -66.78 -41.33 87.83 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.529 -0.759 . . . . 73.14 112.235 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.8 -48.28 59.63 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.341 -0.391 . . . . 70.21 111.847 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 23.9 ttmm -54.31 -52.41 61.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.362 -0.381 . . . . 70.14 111.131 175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.6 mt -51.57 -40.33 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 CA-C-N 115.879 -0.601 . . . . 62.05 112.305 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.7 t -74.97 -45.17 43.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 N-CA-C 112.389 0.515 . . . . 65.23 112.389 -177.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -77.25 -19.33 56.71 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 112.913 0.709 . . . . 72.13 112.913 -175.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.495 HD12 HD22 ' A' ' 51' ' ' LEU . 40.3 mt -72.16 131.13 85.5 Favored Pre-proline 0 CA--C 1.539 0.543 0 CA-C-O 120.943 0.401 . . . . 75.35 111.539 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.88 164.86 29.99 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 122.208 1.939 . . . . 50.23 111.648 173.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.6 -37.29 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 112.288 0.477 . . . . 74.44 112.288 -176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -58.32 -63.98 1.08 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.862 0.363 . . . . 63.14 111.609 177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -60.61 -28.38 68.48 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.797 0.295 . . . . 40.25 111.797 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.96 -57.86 10.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.991 0.424 . . . . 62.31 111.514 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -63.63 -33.94 76.74 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.487 -0.324 . . . . 73.31 111.717 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.36 -35.58 76.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 120.754 0.312 . . . . 71.44 111.502 174.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.495 HD22 HD12 ' A' ' 43' ' ' LEU . 52.4 tp -58.67 -42.55 88.74 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.136 0.493 . . . . 74.52 110.95 176.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.3 -20.24 65.95 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.918 -0.583 . . . . 74.35 111.877 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.13 -1.88 58.28 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 120.788 0.328 . . . . 63.02 111.874 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -95.65 -56.57 2.64 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 121.07 0.462 . . . . 74.33 111.756 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -94.44 146.28 31.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 116.07 -0.514 . . . . 64.03 111.825 -173.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.61 109.29 2.6 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.567 2.178 . . . . 70.21 112.874 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' A' ' 35' ' ' PHE . 87.6 mt -129.9 145.0 51.61 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.903 0.383 . . . . 52.42 111.26 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.3 p -88.22 160.24 17.79 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.434 -0.348 . . . . 74.11 110.78 174.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -48.54 -34.04 10.68 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 112.237 0.458 . . . . 74.53 112.237 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -68.41 -41.29 80.63 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.955 0.407 . . . . 60.21 111.13 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.517 ' O ' HG23 ' A' ' 65' ' ' VAL . 55.9 mt-30 -66.51 -42.9 86.61 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 111.804 0.298 . . . . 74.01 111.804 -178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.02 -38.76 76.8 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.341 . . . . 52.2 111.209 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.4 86.13 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.013 0.435 . . . . 32.44 110.951 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.578 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.4 tp -59.99 -43.64 95.04 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.048 -0.524 . . . . 71.0 111.924 178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.8 t -55.15 -41.43 60.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 120.914 0.388 . . . . 63.13 111.181 179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 66' ' ' ARG . 27.7 mtm-85 -69.69 -38.49 77.03 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 120.86 0.362 . . . . 70.24 111.153 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -57.0 -50.56 72.35 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 116.131 -0.486 . . . . 72.54 111.226 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.09 -46.36 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 CA-C-O 121.296 0.57 . . . . 54.14 110.959 175.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -53.49 -36.72 62.01 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.756 -0.656 . . . . 75.15 111.475 177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -71.31 -49.36 43.43 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 111.75 0.278 . . . . 74.55 111.75 -177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -58.92 -54.76 43.46 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 120.881 0.372 . . . . 73.34 111.784 -178.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -55.94 -35.01 62.42 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.027 -0.606 . . . . 75.34 113.093 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -90.63 -21.5 21.66 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 120.724 0.297 . . . . 74.02 111.772 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -59.84 -36.79 77.55 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.081 0.467 . . . . 73.15 110.896 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -59.26 -47.22 86.16 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.761 -0.654 . . . . 71.54 110.721 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 56.6 t -66.32 -42.72 91.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-N 115.85 -0.614 . . . . 70.52 111.223 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.91 -41.39 99.43 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.386 -0.37 . . . . 72.54 111.851 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.11 -54.9 41.73 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 112.381 0.511 . . . . 62.04 112.381 -178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.499 ' HG3' ' ND2' ' A' ' 80' ' ' ASN . 10.6 pt20 -59.48 -26.17 65.03 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 112.436 0.532 . . . . 73.34 112.436 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.499 ' ND2' ' HG3' ' A' ' 79' ' ' GLN . 46.9 m-80 -103.86 1.13 31.08 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.243 0.46 . . . . 65.44 112.243 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -71.34 133.83 46.29 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 120.693 0.283 . . . . 74.24 111.483 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -162.55 143.22 9.93 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.968 0.413 . . . . 61.15 111.262 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -78.03 95.88 4.96 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.986 0.422 . . . . 75.01 111.909 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 84' ' ' ARG . 4.5 mpt_? -80.47 58.48 3.18 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.388 0.613 . . . . 71.21 110.124 171.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp 56.24 40.17 30.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.512 -0.767 . . . . 70.12 112.548 -174.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.1 mp -74.41 73.2 1.88 Allowed 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.073 0.463 . . . . 74.12 110.091 171.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -85.7 154.08 21.89 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.035 0.445 . . . . 70.22 111.263 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.8 p -74.22 92.78 2.26 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.298 0.571 . . . . 74.32 111.921 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.2 mm -89.47 -41.61 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 CA-C-O 121.763 0.792 . . . . 61.01 109.635 172.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -77.78 88.31 1.02 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-N 115.56 -0.746 . . . . 72.24 110.365 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 . . . . . 0 C--O 1.252 1.221 0 CA-C-O 118.965 -0.541 . . . . 65.51 111.993 -178.814 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.531 0.205 . . . . 65.32 110.578 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.65 110.29 3.43 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 121.226 -0.511 . . . . 64.11 113.742 -177.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -121.64 117.07 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 122.861 0.464 . . . . 71.32 111.134 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 66.03 2.43 2.25 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 112.861 0.689 . . . . 63.42 112.861 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -84.28 114.53 21.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.835 0.35 . . . . 73.34 111.274 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -153.08 167.84 27.89 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.967 0.413 . . . . 63.51 111.419 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -75.79 135.1 40.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.045 0.45 . . . . 64.42 111.872 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -141.14 134.43 29.6 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.042 -0.526 . . . . 65.52 111.211 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.4 m -150.51 178.29 9.2 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.001 0.429 . . . . 71.55 112.15 -177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -120.6 129.8 53.9 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.185 -0.461 . . . . 71.51 111.394 178.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.44 166.32 32.3 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 116.6 -0.273 . . . . 51.55 111.123 178.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -156.9 157.17 34.37 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 112.371 0.508 . . . . 54.21 112.371 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -91.77 142.93 27.13 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.241 -0.436 . . . . 65.44 111.487 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.22 109.03 2.62 Favored 'Trans proline' 0 CA--C 1.542 0.904 0 C-N-CA 122.571 2.181 . . . . 72.04 112.409 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.8 t -111.39 173.08 6.51 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.879 0.371 . . . . 73.21 111.482 -179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -145.34 176.84 9.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.949 0.404 . . . . 73.31 111.865 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -65.4 141.19 58.62 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.068 0.461 . . . . 75.1 112.131 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -133.48 81.4 0.31 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.856 -0.611 . . . . 51.22 112.394 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -82.63 -169.6 2.55 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 111.965 0.357 . . . . 72.15 111.965 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.56 168.69 20.63 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 112.151 0.426 . . . . 50.32 112.151 -176.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.01 -100.11 0.15 Allowed Glycine 0 CA--C 1.528 0.878 0 C-N-CA 121.274 -0.488 . . . . 73.04 112.599 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.8 m -78.23 134.26 37.6 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 122.345 -0.503 . . . . 72.44 110.63 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -58.99 -30.93 68.33 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.041 0.385 . . . . 71.25 112.041 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.492 ' HB2' HG21 ' A' ' 37' ' ' THR . 0.8 OUTLIER -64.84 -50.56 66.2 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 116.613 -0.267 . . . . 60.32 110.717 172.671 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -55.03 -39.15 68.84 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 120.849 0.357 . . . . 64.11 111.253 173.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 0.2 OUTLIER -60.13 -40.14 88.75 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.78 0.324 . . . . 73.43 110.345 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -58.15 -46.73 85.17 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.224 0.535 . . . . 73.12 110.917 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.57 -54.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.764 -0.653 . . . . 44.1 111.991 -178.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -69.56 -27.34 65.05 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 112.193 0.442 . . . . 71.34 112.193 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.57 -37.63 71.02 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.875 0.369 . . . . 51.32 111.789 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.566 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.8 mmm -99.59 6.27 45.78 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 116.454 -0.339 . . . . 70.24 111.508 178.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.2 mttm 56.64 74.53 0.4 Allowed 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 121.414 0.626 . . . . 73.11 112.435 -178.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.9 mm -103.81 118.15 58.02 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 115.773 -0.649 . . . . 64.21 110.634 176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.45 24.96 0.44 Allowed 'Trans proline' 0 CA--C 1.545 1.074 0 C-N-CA 122.784 2.323 . . . . 62.14 114.307 -175.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -157.3 143.54 12.99 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.653 0.263 . . . . 74.34 111.364 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -70.68 155.98 61.84 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 C-N-CA 122.902 2.401 . . . . 73.21 113.915 -175.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 24' ' ' ASP . 70.4 p -63.64 -41.44 98.24 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 115.718 -0.674 . . . . 73.25 112.366 -177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -50.02 -41.63 47.69 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.807 0.337 . . . . 63.14 111.537 175.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.81 -46.36 88.34 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-O 121.04 0.448 . . . . 64.51 110.696 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -53.41 -38.52 32.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.984 -0.553 . . . . 72.24 112.169 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.54 HG22 ' HA ' ' A' ' 69' ' ' ARG . 41.4 t -87.66 -43.21 15.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 112.586 0.587 . . . . 63.03 112.586 -177.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -86.89 21.0 2.39 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.418 0.896 . . . . 74.21 113.418 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 51' ' ' LEU . 58.5 mt -103.96 140.19 20.82 Favored Pre-proline 0 N--CA 1.471 0.62 0 O-C-N 122.244 -0.285 . . . . 75.41 111.078 170.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -63.87 154.39 70.09 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 121.87 1.713 . . . . 74.04 111.699 172.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -48.22 -39.67 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 N-CA-C 113.222 0.823 . . . . 73.54 113.222 -174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -63.27 -55.06 27.92 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.95 0.405 . . . . 65.41 111.604 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.9 -20.03 66.08 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.051 0.389 . . . . 72.14 112.051 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -67.99 -46.95 69.88 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.874 0.369 . . . . 73.44 110.403 173.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -59.71 -41.92 91.9 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.137 0.494 . . . . 42.54 110.437 174.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 20.4 mm-40 -55.51 -50.6 69.54 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.866 -0.606 . . . . 62.52 111.307 172.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.477 HD22 HD12 ' A' ' 43' ' ' LEU . 57.6 tp -48.83 -48.49 41.62 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.012 -0.54 . . . . 65.52 111.698 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.93 -42.17 97.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.0 0.428 . . . . 72.4 111.93 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.68 58.8 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.323 0.49 . . . . 74.34 112.323 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.5 mtt180 -76.62 -27.94 55.91 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.651 0.612 . . . . 62.54 112.651 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -109.44 139.33 21.02 Favored Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 122.291 -0.256 . . . . 65.5 111.496 -179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.25 104.99 0.95 Allowed 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.725 2.283 . . . . 61.3 112.848 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 80.6 mt -131.24 141.82 50.07 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 120.91 0.386 . . . . 75.32 111.645 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.413 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 44.0 p -83.83 163.64 19.99 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.701 -0.227 . . . . 74.42 110.498 173.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -45.12 -47.72 12.16 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.064 0.459 . . . . 75.34 111.956 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 41.3 m -64.76 -33.44 75.99 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.177 -0.465 . . . . 73.51 112.05 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.496 ' O ' HG23 ' A' ' 65' ' ' VAL . 49.6 mt-30 -68.63 -42.02 78.64 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 122.402 -0.186 . . . . 75.43 111.267 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -61.21 -42.9 99.41 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-O 120.86 0.362 . . . . 61.51 110.87 176.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.5 -44.71 85.19 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.015 0.436 . . . . 61.31 111.046 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.566 HD22 ' HG3' ' A' ' 31' ' ' MET . 55.8 tp -59.32 -50.59 73.42 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.189 -0.46 . . . . 73.13 111.329 176.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 61' ' ' GLN . 88.3 t -54.06 -42.37 54.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 120.898 0.38 . . . . 61.41 111.426 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -61.11 -42.59 98.81 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.375 -0.375 . . . . 62.22 111.538 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.82 -34.91 74.31 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 120.891 0.377 . . . . 70.44 111.04 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LEU . 68.5 mt -62.7 -43.7 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-O 120.674 0.273 . . . . 61.14 111.025 177.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.54 ' HA ' HG22 ' A' ' 41' ' ' VAL . 13.3 ttm180 -63.51 -43.03 98.36 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.981 0.42 . . . . 72.01 110.855 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -56.93 -42.13 79.44 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.065 -0.516 . . . . 75.04 111.273 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 71' ' ' ARG . 10.6 mmt180 -73.26 -48.11 37.46 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.17 0.509 . . . . 75.32 111.551 176.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.43 -35.28 90.79 Favored Glycine 0 CA--C 1.525 0.717 0 CA-C-N 116.152 -0.477 . . . . 70.4 113.231 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -62.52 -35.61 79.97 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 120.693 0.282 . . . . 74.23 110.771 177.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -77.06 -31.99 56.5 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.914 0.388 . . . . 72.5 110.644 175.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -60.62 -63.85 1.16 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.258 -0.428 . . . . 73.5 111.164 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.99 -26.91 42.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 CA-C-N 116.187 -0.461 . . . . 42.04 111.41 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.41 -25.89 38.48 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.881 0.326 . . . . 72.34 111.881 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.77 -30.26 31.95 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.199 0.444 . . . . 54.44 112.199 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -71.74 -30.36 65.52 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.989 0.423 . . . . 73.32 111.7 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -126.54 20.1 7.3 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.915 0.339 . . . . 74.41 111.915 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -73.13 124.51 25.71 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.979 0.418 . . . . 73.44 111.593 -176.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.8 mtt85 -65.52 144.42 57.02 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.892 -0.594 . . . . 73.51 111.887 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.5 mtmp? -71.54 108.22 4.82 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 113.084 0.772 . . . . 75.41 113.084 -172.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 68.82 10.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.554 0.692 . . . . 74.33 110.2 169.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -154.81 110.19 3.1 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.447 -0.797 . . . . 75.33 111.432 -175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' H ' HD23 ' A' ' 86' ' ' LEU . 2.1 pt? -92.86 170.68 9.5 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.783 0.325 . . . . 65.13 110.946 175.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -64.9 95.97 0.17 Allowed 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 121.018 0.437 . . . . 62.13 111.053 176.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 p -75.96 92.1 3.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.429 0.633 . . . . 73.44 110.643 175.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 89' ' ' ILE . 20.7 pt -58.46 103.23 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-N 115.367 -0.833 . . . . 72.24 112.309 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -85.65 127.08 40.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 115.976 -0.556 . . . . 71.12 111.589 179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.252 1.219 0 CA-C-O 118.827 -0.606 . . . . 71.34 110.983 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.642 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 120.606 0.241 . . . . 72.43 110.735 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -120.5 63.56 0.48 Allowed Glycine 0 CA--C 1.529 0.933 0 C-N-CA 120.825 -0.702 . . . . 54.13 114.105 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -77.11 93.19 3.85 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 109.53 -0.544 . . . . 74.32 109.53 173.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -97.99 142.47 29.67 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.95 0.722 . . . . 54.22 112.95 -169.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -152.22 158.28 42.64 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.929 -0.578 . . . . 65.22 110.604 175.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -172.17 130.5 0.61 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.701 0.286 . . . . 61.11 110.72 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -84.07 134.63 34.6 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.931 0.715 . . . . 74.14 112.931 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -121.17 113.45 20.01 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.455 -0.793 . . . . 54.11 109.929 175.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 t -155.64 167.09 31.53 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.615 0.598 . . . . 71.13 112.615 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -143.14 166.87 23.48 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 115.855 -0.611 . . . . 75.41 110.996 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 95.6 mmm -86.34 152.33 22.83 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.131 0.491 . . . . 70.02 112.14 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.84 143.64 26.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.13 -0.486 . . . . 63.23 111.744 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -129.47 140.98 40.23 Favored Pre-proline 0 N--CA 1.474 0.748 0 CA-C-N 116.507 -0.315 . . . . 74.15 111.509 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.19 -179.98 5.95 Favored 'Trans proline' 0 CA--C 1.545 1.072 0 C-N-CA 122.84 2.36 . . . . 73.41 113.332 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.9 m -150.97 135.58 17.15 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.459 -0.337 . . . . 75.21 111.286 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.96 96.69 3.26 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.106 0.479 . . . . 54.21 111.982 -179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 5.6 tpm_? -101.76 88.71 3.46 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.104 0.478 . . . . 73.32 110.663 177.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.05 79.23 1.93 Allowed Glycine 0 CA--C 1.524 0.621 0 CA-C-N 116.175 -0.466 . . . . 72.23 113.735 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -81.26 102.37 10.33 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.883 0.373 . . . . 64.3 110.728 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.41 147.73 26.76 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.385 0.513 . . . . 52.3 112.385 -173.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.8 -36.09 1.45 Allowed Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.908 -0.587 . . . . 45.5 113.185 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.9 p -98.77 167.4 10.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.205 0.526 . . . . 63.14 111.824 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -70.49 -34.69 72.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.045 -0.525 . . . . 75.44 111.171 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.8 -45.22 82.35 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.274 0.559 . . . . 71.44 110.538 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -62.11 -35.9 80.12 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.924 -0.58 . . . . 73.11 111.539 176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' A' ' 26' ' ' ARG . 33.3 mmt180 -61.8 -39.69 92.59 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.683 0.278 . . . . 72.35 111.403 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HB3' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.79 -44.13 86.66 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.17 0.509 . . . . 75.21 110.557 171.033 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -55.6 -57.85 10.24 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.768 -0.651 . . . . 73.13 112.29 -177.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -63.4 -29.46 70.75 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.009 0.374 . . . . 63.32 112.009 -178.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -68.7 -40.78 79.85 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.122 0.487 . . . . 75.53 111.316 177.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.576 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 96.2 mmm -86.78 -10.62 53.13 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.182 -0.463 . . . . 62.01 111.238 176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.2 mttp 76.32 63.66 0.05 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.672 0.789 . . . . 54.13 112.078 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.504 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.2 mm -95.5 117.88 66.4 Favored Pre-proline 0 CA--C 1.547 0.831 0 CA-C-N 115.601 -0.727 . . . . 73.43 110.739 175.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.2 8.67 4.23 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.747 2.298 . . . . 65.15 114.82 -175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.466 ' H ' HG22 ' A' ' 33' ' ' ILE . 22.7 p90 -134.53 150.35 73.48 Favored Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 122.035 -0.416 . . . . 74.33 111.888 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.82 154.81 63.34 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.05 2.5 . . . . 75.03 114.419 -174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.56 ' HA ' HD12 ' A' ' 40' ' ' ILE . 66.3 p -67.7 -39.95 84.35 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.655 -0.702 . . . . 72.02 112.319 -177.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -53.13 -50.84 63.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 120.923 0.392 . . . . 72.35 111.689 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -58.07 -44.57 87.58 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.396 -0.365 . . . . 70.42 111.139 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.56 HD12 ' HA ' ' A' ' 37' ' ' THR . 82.9 mt -49.65 -48.9 20.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.186 0.517 . . . . 72.34 111.769 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 57.9 t -69.46 -39.76 79.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 CA-C-N 116.088 -0.505 . . . . 42.12 111.91 -178.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.523 HD22 ' N ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -76.48 -27.46 56.12 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.099 0.777 . . . . 74.32 113.099 -174.031 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.525 HD12 HD22 ' A' ' 51' ' ' LEU . 66.9 mt -68.78 130.67 91.59 Favored Pre-proline 0 N--CA 1.473 0.68 0 N-CA-C 112.011 0.374 . . . . 51.43 112.011 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -68.45 -178.56 1.9 Allowed 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.669 2.246 . . . . 65.32 112.953 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.417 HG13 ' N ' ' A' ' 46' ' ' ASP . 6.7 p -54.14 -57.13 6.61 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 N-CA-C 113.882 1.067 . . . . 55.33 113.882 -171.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' N ' HG13 ' A' ' 45' ' ' VAL . 6.6 m-20 -65.14 -49.11 71.17 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.88 -0.512 . . . . 72.43 111.792 -176.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.73 -35.04 75.35 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.912 0.386 . . . . 75.22 111.406 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 65' ' ' VAL . 88.9 t80 -61.46 -50.14 74.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.168 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.93 -40.32 88.5 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.953 0.406 . . . . 74.44 110.957 177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 29.9 mm-40 -57.71 -49.0 77.99 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.288 -0.414 . . . . 75.32 111.193 174.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.525 HD22 HD12 ' A' ' 43' ' ' LEU . 47.2 tp -51.38 -45.96 62.62 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.026 0.441 . . . . 74.03 111.173 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 92.2 mt -64.91 -36.51 84.62 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.961 0.41 . . . . 72.11 111.845 177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.38 -19.53 46.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.525 0.565 . . . . 41.23 112.525 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 68.6 mtt180 -94.34 3.42 55.23 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.692 0.627 . . . . 75.11 112.692 -175.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -132.33 148.72 70.84 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.894 0.378 . . . . 64.3 111.802 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -73.97 85.65 1.34 Allowed 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.332 2.021 . . . . 62.44 112.3 175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 35' ' ' PHE . 76.8 mt -117.07 131.31 56.95 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.061 -0.518 . . . . 74.14 111.543 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 61.9 p -68.62 155.74 39.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.956 0.407 . . . . 74.12 111.209 174.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -47.32 -44.32 23.52 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.832 0.679 . . . . 72.41 112.832 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -65.19 -34.42 78.32 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.015 0.436 . . . . 65.24 111.712 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.576 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 52.6 mt-30 -62.05 -44.99 95.51 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.469 -0.332 . . . . 75.14 111.395 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.545 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.6 mp -59.75 -44.48 93.79 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.852 0.358 . . . . 71.32 110.582 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.48 -38.18 74.13 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.992 0.425 . . . . 74.43 111.736 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 27' ' ' ARG . 67.8 tp -66.07 -53.27 40.35 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.116 -0.493 . . . . 71.3 110.976 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.519 HG13 HD13 ' A' ' 40' ' ' ILE . 71.2 t -53.29 -37.95 30.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-N 116.209 -0.45 . . . . 62.14 111.985 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 26.7 mtp180 -63.81 -39.82 95.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.886 0.374 . . . . 75.13 111.368 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.485 ' HA ' ' HG2' ' A' ' 70' ' ' ARG . 30.9 t70 -67.68 -43.92 79.02 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.512 -0.313 . . . . 74.31 110.653 176.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -54.74 -42.66 62.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-O 121.032 0.444 . . . . 63.23 111.503 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 55.7 ttp180 -62.13 -50.2 72.82 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.444 -0.344 . . . . 72.0 111.537 178.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.485 ' HG2' ' HA ' ' A' ' 67' ' ' ASP . 29.8 ptt180 -69.67 -28.33 65.78 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 111.65 0.241 . . . . 71.2 111.65 -178.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -68.93 -50.66 47.4 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.824 0.345 . . . . 71.02 111.103 175.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.0 -45.89 95.71 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.965 -0.636 . . . . 43.01 112.698 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -65.15 -26.95 68.4 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 111.768 0.284 . . . . 71.31 111.768 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -53.21 -30.6 38.7 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.893 0.378 . . . . 73.33 111.355 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' HB2' ' NZ ' ' A' ' 75' ' ' LYS . 0.0 OUTLIER -58.55 -47.49 84.03 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.223 0.535 . . . . 65.4 110.493 175.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -73.47 -35.36 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-N 115.767 -0.652 . . . . 62.5 111.174 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.11 78.89 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.182 -0.463 . . . . 74.04 111.98 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.01 -47.67 57.46 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.952 0.405 . . . . 74.12 111.845 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -66.45 -35.7 80.95 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 120.976 0.417 . . . . 74.33 111.495 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -93.29 18.61 9.31 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.074 0.398 . . . . 71.34 112.074 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -61.39 112.64 2.26 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.767 0.318 . . . . 72.53 110.699 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.24 102.48 0.3 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.051 0.453 . . . . 71.52 111.457 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -111.7 101.89 10.23 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.094 0.473 . . . . 74.41 110.925 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -161.27 122.0 2.77 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.024 -0.535 . . . . 63.33 110.636 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -77.11 81.21 3.63 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.274 0.559 . . . . 74.32 110.091 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -62.43 144.26 56.08 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.011 -0.541 . . . . 74.03 110.026 174.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -85.46 98.57 10.67 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.247 0.546 . . . . 74.42 111.555 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.4 m -76.94 90.48 3.54 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.921 -0.581 . . . . 71.34 110.969 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.0 mt -77.8 125.47 37.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 CA-C-N 116.223 -0.444 . . . . 74.34 111.494 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -104.55 128.03 58.46 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 120.821 0.344 . . . . 74.44 110.769 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--O 1.253 1.259 0 N-CA-C 112.131 0.419 . . . . 60.4 112.131 -178.835 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 120.587 0.232 . . . . 74.4 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.89 -47.45 3.32 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 121.245 -0.502 . . . . 43.11 113.409 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -54.5 117.61 3.47 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.065 0.459 . . . . 64.33 111.083 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.71 -26.23 61.46 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.738 1.384 . . . . 74.12 114.738 -164.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -139.45 11.0 2.52 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.531 0.938 . . . . 74.33 113.531 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 6' ' ' HIS . 52.0 t-80 48.43 30.34 2.34 Favored 'General case' 0 CA--C 1.555 1.158 0 N-CA-C 113.282 0.845 . . . . 70.12 113.282 168.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -69.47 94.99 0.78 Allowed 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.588 -0.695 . . . . 74.34 112.383 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -141.36 150.75 42.83 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.392 -0.367 . . . . 55.54 110.407 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.5 p -62.72 91.71 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.376 0.608 . . . . 75.22 111.242 176.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 41.3 t60 -81.16 -29.03 34.79 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.791 -0.64 . . . . 63.23 110.921 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.664 ' N ' ' SD ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -112.38 165.15 12.46 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 115.741 -0.663 . . . . 72.31 112.136 -176.04 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.36 25.8 0.7 Allowed 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 112.878 0.696 . . . . 53.32 112.878 -177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt 68.52 132.19 0.04 OUTLIER Pre-proline 0 N--CA 1.478 0.925 0 N-CA-C 112.434 0.531 . . . . 74.54 112.434 178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -76.43 86.22 1.59 Allowed 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 122.565 2.177 . . . . 51.43 112.418 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.2 m -77.86 85.54 4.13 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.303 0.573 . . . . 72.41 110.555 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -92.34 112.06 23.87 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.229 -0.442 . . . . 72.54 111.841 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -108.94 114.92 29.1 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.448 -0.342 . . . . 74.32 110.656 179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -161.62 -179.1 36.09 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 120.792 -0.718 . . . . 31.35 113.396 -177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -148.41 134.61 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.782 0.325 . . . . 64.01 111.3 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -159.56 154.87 25.37 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.048 0.388 . . . . 64.54 112.048 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.33 5.86 10.09 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 121.447 -0.406 . . . . 70.11 113.52 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -99.15 152.11 20.24 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 122.728 -0.278 . . . . 74.03 111.206 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.648 ' HD3' ' H ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -58.3 -63.49 1.25 Allowed 'General case' 0 N--CA 1.481 1.078 0 CA-C-O 121.345 0.593 . . . . 75.12 112.148 -171.123 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.411 ' HA ' ' NH1' ' A' ' 27' ' ' ARG . 4.8 m-20 -58.86 -36.23 74.25 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 115.622 -0.717 . . . . 63.54 111.451 -174.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -70.22 -34.96 73.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.801 -0.636 . . . . 72.42 111.631 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -64.59 -25.02 67.79 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.055 0.391 . . . . 75.4 112.055 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 64' ' ' LEU . 67.2 mtt85 -58.74 -43.84 90.32 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.156 0.503 . . . . 74.44 110.934 173.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -61.94 -57.23 12.53 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.898 -0.592 . . . . 72.55 112.013 -177.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.2 pp -63.85 -28.47 69.87 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 111.96 0.356 . . . . 75.33 111.96 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -67.49 -48.67 66.44 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 120.764 0.316 . . . . 62.21 111.589 177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.415 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.1 mmm -91.84 7.51 41.57 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 116.478 -0.328 . . . . 73.44 111.517 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 58.9 71.9 0.56 Allowed 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.606 0.717 . . . . 70.41 112.477 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.41 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.0 mm -102.1 111.48 64.36 Favored Pre-proline 0 CA--C 1.543 0.677 0 CA-C-N 115.595 -0.729 . . . . 65.31 110.204 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.94 25.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.09 0 C-N-CA 122.784 2.322 . . . . 60.21 115.092 -172.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' HD11 ' A' ' 57' ' ' LEU . 33.8 p90 -146.41 147.92 32.52 Favored Pre-proline 0 N--CA 1.474 0.757 0 O-C-N 121.862 -0.524 . . . . 73.45 111.927 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.56 139.99 79.0 Favored 'Trans proline' 0 CA--C 1.545 1.038 0 C-N-CA 123.348 2.699 . . . . 75.54 114.62 -173.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 70.2 p -65.64 -40.53 92.6 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.711 -0.677 . . . . 65.33 112.618 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -54.71 -43.25 72.4 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.123 0.487 . . . . 71.15 111.718 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -64.7 -36.09 83.17 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.204 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.579 HD13 HG13 ' A' ' 65' ' ' VAL . 69.8 mt -55.78 -40.93 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 121.236 0.541 . . . . 73.54 111.414 177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.432 HG21 ' HA3' ' A' ' 72' ' ' GLY . 62.9 t -74.63 -36.57 41.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 CA-C-N 115.914 -0.585 . . . . 73.54 111.865 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.515 HD22 ' N ' ' A' ' 42' ' ' ASN . 0.8 OUTLIER -73.6 -40.36 63.9 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.391 0.515 . . . . 55.33 112.391 -176.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 74.8 mt -66.87 136.17 94.4 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.237 0.458 . . . . 70.05 112.237 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.29 176.1 8.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 122.705 2.27 . . . . 71.13 112.645 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.0 p -55.53 -43.31 72.02 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 N-CA-C 113.04 0.755 . . . . 62.22 113.04 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -62.92 -55.39 26.39 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 120.867 0.365 . . . . 73.04 111.528 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.0 -37.13 76.18 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.945 0.402 . . . . 73.45 111.427 177.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -61.29 -50.02 74.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 116.096 -0.502 . . . . 75.14 111.214 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -61.59 -43.44 98.85 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.781 0.324 . . . . 75.13 111.287 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 50.8 mm-40 -55.19 -51.02 67.85 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.919 0.39 . . . . 74.52 110.674 173.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.7 tp -50.59 -49.44 56.35 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.885 -0.598 . . . . 70.22 111.48 179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.98 -31.7 72.76 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.387 0.514 . . . . 74.24 112.387 179.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.53 -21.91 35.22 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.227 0.455 . . . . 64.43 112.227 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 85.6 mtt180 -90.39 -16.83 28.35 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 112.513 0.56 . . . . 62.13 112.513 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -106.03 145.25 30.57 Favored Pre-proline 0 CA--C 1.539 0.526 0 CA-C-O 121.066 0.46 . . . . 75.32 112.119 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -77.85 43.65 1.41 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.048 2.499 . . . . 74.45 113.894 -174.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 72.7 mt -82.14 145.77 29.94 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.946 0.403 . . . . 74.22 111.686 -178.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.2 p -85.39 164.26 18.03 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 116.604 -0.271 . . . . 64.33 110.959 175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -47.69 -36.29 10.94 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.863 0.69 . . . . 73.45 112.863 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.1 p -67.72 -40.62 84.2 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.944 0.402 . . . . 62.34 111.345 179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.567 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 49.6 mt-30 -66.48 -43.58 85.06 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 116.339 -0.391 . . . . 72.22 111.776 -178.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -60.14 -40.21 88.99 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.957 0.408 . . . . 73.51 111.361 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.91 86.61 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.905 0.383 . . . . 70.44 111.235 177.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 27' ' ' ARG . 37.6 tp -61.47 -53.01 62.02 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.23 -0.441 . . . . 51.4 111.267 176.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.579 HG13 HD13 ' A' ' 40' ' ' ILE . 64.5 t -53.54 -39.98 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 116.037 -0.529 . . . . 60.01 111.716 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 66' ' ' ARG . 42.8 mtm180 -62.02 -35.68 79.28 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 112.33 0.492 . . . . 74.3 112.33 178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 29.6 t70 -73.76 -40.34 63.56 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 122.166 -0.334 . . . . 61.51 110.846 176.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.4 mt -57.95 -40.77 78.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.911 0.386 . . . . 52.54 110.953 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 35.1 ttt180 -53.88 -50.49 66.19 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.269 0.557 . . . . 70.51 110.516 173.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -58.21 -45.68 87.22 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 115.676 -0.693 . . . . 74.35 111.763 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 16.9 mmm180 -51.29 -57.22 9.44 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 112.527 0.565 . . . . 75.15 112.527 -176.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' HA3' HG21 ' A' ' 41' ' ' VAL . . . -74.23 -36.66 50.17 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.879 -0.677 . . . . 72.3 113.564 -178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -71.71 -43.02 66.62 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 122.468 -0.431 . . . . 72.51 111.943 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -57.58 -33.52 68.26 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.045 0.45 . . . . 71.11 111.143 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -51.63 -53.18 41.38 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 115.922 -0.581 . . . . 74.24 111.59 177.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.493 HG22 ' ND2' ' A' ' 80' ' ' ASN . 12.1 p -81.86 -27.01 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 CA-C-O 121.062 0.458 . . . . 61.21 111.414 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.66 -31.26 72.37 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.881 0.372 . . . . 71.11 111.601 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.77 78.68 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.998 0.37 . . . . 45.22 111.998 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -73.38 -29.91 62.94 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.012 0.434 . . . . 70.11 111.858 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.493 ' ND2' HG22 ' A' ' 76' ' ' VAL . 82.8 m-20 -89.72 23.97 2.5 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 120.755 0.312 . . . . 74.21 111.585 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -70.0 131.12 43.88 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.279 0.562 . . . . 75.4 112.113 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.67 156.83 3.31 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 115.509 -0.769 . . . . 75.12 111.678 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -67.75 111.51 4.31 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.297 0.57 . . . . 64.33 111.944 -179.171 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -76.07 129.33 36.66 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.763 -0.653 . . . . 72.44 110.872 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 85' ' ' LYS . 8.6 mtpm? -107.84 118.64 37.28 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.091 0.472 . . . . 63.33 110.688 177.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 86' ' ' LEU . 6.9 mp -76.64 6.39 6.0 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 112.545 0.572 . . . . 72.35 112.545 -173.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -66.95 92.12 0.22 Allowed 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 121.173 0.511 . . . . 74.12 110.975 176.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -82.53 165.41 20.16 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.889 -0.596 . . . . 74.51 111.104 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.9 mm -61.42 111.76 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.712 0.291 . . . . 75.03 110.885 177.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.4 m -51.4 136.7 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 121.26 0.552 . . . . 73.12 112.371 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.769 -0.634 . . . . 62.45 111.575 -177.235 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.579 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.563 0.22 . . . . 74.42 111.36 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.11 82.74 0.2 Allowed Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.05 -0.595 . . . . 60.41 113.276 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.409 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 6.0 p80 -75.12 101.56 4.61 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.461 0.541 . . . . 73.21 112.461 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -77.36 104.72 8.04 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 120.849 0.356 . . . . 73.31 110.565 174.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -120.15 108.85 14.74 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.313 -0.403 . . . . 73.3 110.905 -174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 p-80 -136.97 153.19 50.76 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.123 0.416 . . . . 52.4 112.123 -176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -161.66 136.66 7.32 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.364 -0.38 . . . . 62.02 110.96 170.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -129.37 102.83 6.59 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.854 0.359 . . . . 75.03 111.368 177.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -83.38 159.36 21.84 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.31 -0.405 . . . . 61.33 110.809 177.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -124.3 103.2 8.08 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.132 0.491 . . . . 74.41 111.367 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 28.2 ttt -134.36 158.54 43.57 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 115.956 -0.565 . . . . 72.33 110.909 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 69.24 83.6 0.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.484 0.659 . . . . 74.15 111.798 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -105.14 141.73 23.18 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-N 115.825 -0.625 . . . . 71.35 111.274 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_endo -60.07 104.21 0.23 Allowed 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.539 2.159 . . . . 73.34 112.482 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.8 m -99.65 108.86 21.33 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.239 -0.437 . . . . 73.04 111.263 -176.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.11 121.92 20.99 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.433 -0.348 . . . . 54.44 111.676 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 18' ' ' GLY . 55.0 ttt180 -100.1 160.4 14.35 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.909 0.385 . . . . 74.22 111.542 -179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' N ' ' HG2' ' A' ' 17' ' ' ARG . . . -60.62 164.82 15.29 Favored Glycine 0 CA--C 1.53 1.012 0 C-N-CA 121.394 -0.431 . . . . 74.32 113.38 176.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -83.05 116.91 22.5 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.914 0.388 . . . . 73.41 111.668 -176.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB1' ' HG3' ' A' ' 25' ' ' GLU . . . -139.41 108.44 6.03 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.829 0.347 . . . . 51.34 111.057 177.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.43 33.49 6.43 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 121.308 -0.472 . . . . 52.15 113.288 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.6 m -83.04 146.26 28.83 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.901 0.381 . . . . 64.2 111.856 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -46.83 -52.35 14.47 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.957 -0.565 . . . . 75.22 112.23 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.99 -42.86 95.13 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.047 0.451 . . . . 72.22 111.593 178.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.473 ' HG3' ' HB1' ' A' ' 20' ' ' ALA . 74.9 mm-40 -57.83 -36.72 72.67 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.141 0.423 . . . . 75.34 112.141 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -59.89 -29.1 68.11 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.048 0.452 . . . . 75.01 111.087 178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm-85 -78.79 -42.21 28.46 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.285 0.564 . . . . 65.44 110.518 175.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -56.3 -55.14 37.0 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.707 -0.679 . . . . 63.14 111.95 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -64.83 -23.48 67.25 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.955 0.354 . . . . 71.54 111.955 -179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.54 -49.31 42.0 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 120.9 0.381 . . . . 73.15 111.444 178.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.0 mmm -85.73 6.81 26.12 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.422 -0.353 . . . . 75.31 111.806 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt 63.84 72.16 0.47 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.133 0.573 . . . . 73.24 112.024 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.413 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 51.2 mm -108.39 116.17 56.87 Favored Pre-proline 0 CA--C 1.542 0.636 0 CA-C-N 116.456 -0.338 . . . . 63.34 110.628 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -73.0 -24.36 17.44 Favored 'Trans proline' 0 CA--C 1.541 0.829 0 C-N-CA 122.799 2.333 . . . . 64.24 114.097 -176.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -102.86 141.02 21.64 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-O 120.859 0.362 . . . . 74.2 111.904 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HB3' HH21 ' A' ' 17' ' ' ARG . 38.6 Cg_endo -64.69 143.9 82.35 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.884 2.389 . . . . 63.31 114.033 -175.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 40' ' ' ILE . 73.2 p -58.22 -40.07 80.72 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.025 -0.534 . . . . 64.51 111.751 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -52.59 -47.61 66.8 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.398 -0.365 . . . . 72.23 111.392 175.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.9 ttmt -60.33 -43.63 96.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.688 0.28 . . . . 73.53 110.913 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 37' ' ' THR . 63.5 mt -52.1 -37.34 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.266 0.555 . . . . 73.15 111.452 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.8 t -80.84 -45.33 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.987 -0.551 . . . . 54.31 112.212 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -72.45 -6.26 42.39 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 112.562 0.578 . . . . 63.15 112.562 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 75.3 mt -83.92 143.49 43.23 Favored Pre-proline 0 CA--C 1.541 0.624 0 O-C-N 122.092 -0.38 . . . . 74.32 111.026 172.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.73 167.7 25.81 Favored 'Trans proline' 0 CA--C 1.54 0.789 0 C-N-CA 122.287 1.991 . . . . 62.51 112.176 173.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 p -54.98 -41.57 59.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 112.668 0.618 . . . . 74.22 112.668 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -65.82 -60.93 2.38 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.85 0.357 . . . . 64.42 111.216 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -54.63 -27.72 41.56 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.286 0.476 . . . . 74.21 112.286 178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -60.28 -53.37 58.49 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.006 0.431 . . . . 71.52 111.127 173.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 -63.66 -31.19 72.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.046 0.45 . . . . 73.42 111.025 176.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 25.3 mm-40 -62.75 -49.75 73.77 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.854 0.359 . . . . 73.42 111.145 174.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.2 tp -54.39 -47.8 72.3 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.156 -0.475 . . . . 74.14 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 HG11 ' A' ' 65' ' ' VAL . 92.0 mt -63.32 -33.9 76.52 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.17 -0.468 . . . . 72.53 112.158 178.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.11 -33.97 56.8 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.971 0.415 . . . . 43.54 111.708 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 95.9 mtt180 -78.93 -31.47 45.21 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.878 0.371 . . . . 75.22 111.198 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -106.09 101.07 32.13 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.581 -0.281 . . . . 61.15 110.75 175.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -66.39 81.57 0.3 Allowed 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.755 2.303 . . . . 74.11 113.424 -174.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 87.1 mt -91.55 162.55 14.49 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.148 -0.478 . . . . 63.43 111.03 175.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.482 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 30.5 p -71.84 147.68 46.93 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 122.209 -0.307 . . . . 72.31 110.541 176.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.77 -22.79 3.88 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-O 120.853 0.359 . . . . 54.42 111.689 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.8 m -75.45 -42.62 52.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.298 -0.41 . . . . 74.13 111.216 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.482 ' HG3' ' OG1' ' A' ' 58' ' ' THR . 56.9 mt-30 -61.81 -46.39 89.73 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 122.292 -0.255 . . . . 72.11 111.232 176.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.486 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.2 mp -58.0 -32.66 68.12 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.67 0.271 . . . . 73.24 111.386 177.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.99 90.82 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.131 0.491 . . . . 55.12 111.292 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.1 tp -68.41 -49.18 61.87 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.036 -0.529 . . . . 72.03 111.128 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.505 HG11 HD21 ' A' ' 52' ' ' LEU . 59.8 t -54.93 -43.38 68.49 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.01 0.433 . . . . 71.54 111.291 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -65.8 -30.03 70.6 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.502 -0.317 . . . . 74.35 111.454 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -72.96 -51.96 16.35 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.695 0.283 . . . . 73.42 111.026 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.499 ' HA ' ' HD3' ' A' ' 71' ' ' ARG . 71.5 mt -55.71 -45.53 79.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-O 121.03 0.443 . . . . 63.54 111.039 176.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 69' ' ' ARG . 0.1 OUTLIER -49.84 -48.06 51.22 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.881 -0.599 . . . . 71.43 111.232 174.402 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -67.96 -40.24 83.22 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.822 0.344 . . . . 75.32 110.504 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.499 ' HD3' ' HA ' ' A' ' 68' ' ' ILE . 32.4 mtp85 -57.88 -58.0 10.3 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.274 0.559 . . . . 74.32 111.734 178.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 75' ' ' LYS . . . -66.39 -36.57 91.77 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.948 -0.569 . . . . 75.13 113.077 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -64.62 -33.45 75.96 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 122.369 -0.489 . . . . 72.4 110.891 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -72.24 -35.36 68.8 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 121.164 0.507 . . . . 61.23 110.829 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 72' ' ' GLY . 53.4 tttm -56.69 -41.16 76.85 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.832 -0.622 . . . . 74.31 111.664 176.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.78 -39.05 13.41 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 CA-C-N 116.604 -0.271 . . . . 74.1 111.63 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.48 -24.55 66.66 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 120.923 0.392 . . . . 51.02 111.917 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.0 -22.73 61.08 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.31 -0.404 . . . . 71.35 111.968 178.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -82.5 -8.79 59.61 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.811 0.3 . . . . 64.12 111.811 178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -145.97 27.76 1.17 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 112.438 0.533 . . . . 65.32 112.438 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -73.8 129.61 38.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.127 0.489 . . . . 71.32 111.808 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -61.05 107.5 0.74 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.967 -0.56 . . . . 72.42 110.325 177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -59.98 135.77 57.81 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.151 0.797 . . . . 65.42 113.151 -168.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -84.05 109.82 17.97 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.997 0.427 . . . . 72.13 111.331 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.617 ' HE2' ' HB2' ' A' ' 87' ' ' GLU . 6.2 ttpm? -69.04 125.22 25.97 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.325 -0.398 . . . . 75.11 111.794 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.5 tp -88.5 89.5 8.02 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.382 0.61 . . . . 72.41 110.194 175.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.617 ' HB2' ' HE2' ' A' ' 85' ' ' LYS . 43.6 tt0 -96.8 94.9 7.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 115.928 -0.578 . . . . 74.21 111.512 -176.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.2 m -87.37 89.72 8.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.139 0.495 . . . . 75.34 110.965 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.6 mm -128.58 109.65 19.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 116.165 -0.47 . . . . 43.04 111.66 -178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.5 p -157.2 138.2 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.055 0.455 . . . . 74.13 111.455 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 . . . . . 0 C--O 1.254 1.327 0 CA-C-O 118.805 -0.617 . . . . 72.32 112.215 -179.231 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttm . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 120.765 0.317 . . . . 71.33 111.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.63 -130.01 10.09 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 121.162 -0.542 . . . . 73.51 114.005 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -103.23 132.09 49.76 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.221 0.452 . . . . 71.43 112.221 -173.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -105.87 172.28 6.89 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.939 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 p-80 -115.81 110.98 19.82 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.082 0.468 . . . . 62.23 111.677 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -75.84 161.65 28.81 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.162 0.506 . . . . 70.51 111.854 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -127.8 130.11 48.12 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 116.198 -0.456 . . . . 74.23 112.057 -171.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.1 p80 -107.5 148.24 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 112.047 0.388 . . . . 75.43 112.047 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.7 t -169.08 105.92 0.41 Allowed 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.937 0.398 . . . . 74.51 111.64 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -96.96 153.81 17.68 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.884 0.373 . . . . 73.55 111.132 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.8 mmt -73.63 98.32 2.83 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.057 0.456 . . . . 64.51 111.065 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.05 111.65 7.47 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.905 -0.589 . . . . 73.15 111.728 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.844 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 10.0 mmpt? 62.36 79.92 0.26 Allowed Pre-proline 0 N--CA 1.473 0.699 0 CA-C-N 115.845 -0.616 . . . . 73.5 112.038 -175.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -84.25 56.08 4.82 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.919 2.413 . . . . 63.52 112.104 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.0 m -61.09 97.33 0.06 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.006 0.431 . . . . 75.3 111.23 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.22 150.78 33.41 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.757 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -94.13 119.16 32.58 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-O 120.837 0.351 . . . . 71.15 111.101 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.43 71.34 2.69 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.202 -0.523 . . . . 54.3 113.392 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -72.55 101.06 2.9 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 122.456 -0.438 . . . . 64.04 111.463 178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -133.4 98.7 4.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.193 0.52 . . . . 54.12 112.057 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.01 -81.2 0.96 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.149 -0.548 . . . . 62.35 112.99 177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.9 m -67.03 169.34 8.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 112.348 0.499 . . . . 62.43 112.348 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -63.51 -44.2 94.98 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.087 0.47 . . . . 53.42 110.882 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.65 -24.8 64.18 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.879 -0.601 . . . . 63.03 112.383 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -56.63 -36.15 69.15 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.716 0.293 . . . . 75.04 110.992 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -63.84 -47.17 81.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.943 0.402 . . . . 74.31 110.255 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.462 ' HB3' HD11 ' A' ' 64' ' ' LEU . 8.1 mtp85 -57.07 -39.91 75.87 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 115.999 -0.546 . . . . 74.41 111.278 174.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.05 -51.84 62.19 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.182 -0.463 . . . . 72.31 112.125 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.45 -20.73 59.92 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 111.977 0.362 . . . . 75.41 111.977 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -39.06 71.01 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 120.845 0.355 . . . . 75.34 111.795 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.461 ' HG3' HD22 ' A' ' 64' ' ' LEU . 93.9 mmm -99.57 -0.66 40.02 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 116.546 -0.297 . . . . 71.32 111.729 177.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm 61.71 78.01 0.31 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.168 0.587 . . . . 71.42 112.272 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.5 mm -92.3 118.02 67.92 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.019 -0.537 . . . . 62.52 110.419 175.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -83.56 28.51 0.57 Allowed 'Trans proline' 0 CA--C 1.547 1.142 0 C-N-CA 122.946 2.43 . . . . 72.35 114.465 -175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 44.4 p90 -157.89 155.39 26.47 Favored Pre-proline 0 CA--C 1.544 0.732 0 O-C-N 122.193 -0.317 . . . . 52.42 111.591 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 31.0 Cg_endo -61.9 136.66 62.87 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 123.018 2.479 . . . . 65.14 114.193 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 74.8 p -65.93 -38.39 88.53 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.884 -0.598 . . . . 74.45 112.499 -178.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -54.8 -43.92 73.34 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 120.977 0.418 . . . . 63.43 111.138 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -55.65 -38.87 70.15 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.25 -0.432 . . . . 64.03 111.498 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.469 HG22 ' HB2' ' A' ' 69' ' ' ARG . 74.6 mt -52.66 -43.32 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 121.269 0.557 . . . . 75.52 111.897 178.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.494 HG22 ' HA ' ' A' ' 69' ' ' ARG . 26.7 t -89.42 -26.78 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.067 -0.515 . . . . 70.34 112.365 -175.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -91.77 -13.92 30.73 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.775 1.028 . . . . 63.21 113.775 -174.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.5 mt -83.27 144.58 47.01 Favored Pre-proline 0 N--CA 1.473 0.712 0 O-C-N 121.774 -0.579 . . . . 54.3 111.596 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.31 167.49 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.916 0 C-N-CA 122.481 2.121 . . . . 65.42 112.124 174.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.0 p -56.3 -41.34 70.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 112.822 0.675 . . . . 70.45 112.822 -172.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.33 -57.73 6.86 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 111.943 0.349 . . . . 74.35 111.943 -178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.28 -34.38 57.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.001 0.429 . . . . 62.35 111.136 176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.43 ' HE1' HG23 ' A' ' 40' ' ' ILE . 83.3 t80 -63.48 -46.34 86.64 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.131 -0.486 . . . . 74.24 111.124 175.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -57.18 -46.71 82.58 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.072 0.463 . . . . 73.45 111.157 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.0 -34.33 76.31 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.026 178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 53.9 tp -55.43 -50.01 70.93 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 120.843 0.354 . . . . 75.23 110.89 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.36 -36.78 74.0 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.335 0.588 . . . . 75.51 111.498 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.59 -24.43 53.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.946 -0.57 . . . . 75.44 112.354 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -85.17 -3.46 58.82 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.98 0.733 . . . . 73.2 112.98 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 70.1 m-85 -125.6 149.11 64.05 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.306 0.484 . . . . 75.43 112.306 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 4.1 Cg_exo -75.87 42.49 0.96 Allowed 'Trans proline' 0 CA--C 1.542 0.922 0 C-N-CA 123.507 2.805 . . . . 41.24 113.207 -178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 86.7 mt -69.66 136.72 51.46 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.99 0.424 . . . . 73.25 111.85 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.425 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 28.1 p -72.03 157.96 36.84 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 116.393 -0.367 . . . . 73.34 110.035 172.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -49.26 -38.54 27.34 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.05 0.453 . . . . 64.3 111.384 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.4 t -65.69 -39.22 91.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.065 -0.516 . . . . 62.45 111.368 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 53.6 mt-30 -65.92 -42.11 90.55 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 111.924 0.342 . . . . 75.23 111.924 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.08 -40.98 77.97 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 120.97 0.414 . . . . 65.33 110.612 175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.06 97.72 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.121 -0.49 . . . . 50.12 111.335 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 27' ' ' ARG . 61.9 tp -62.03 -50.36 72.35 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 116.489 -0.323 . . . . 71.43 111.281 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 61' ' ' GLN . 98.0 t -56.07 -45.89 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.172 0.511 . . . . 74.23 111.025 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -62.16 -37.05 83.75 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.204 -0.453 . . . . 73.34 111.519 175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.535 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 21.9 t70 -67.79 -45.58 74.42 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.61 -0.268 . . . . 73.12 111.033 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 64' ' ' LEU . 73.8 mt -54.34 -48.03 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.103 0.478 . . . . 71.24 110.993 177.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.494 ' HA ' HG22 ' A' ' 41' ' ' VAL . 53.0 ttp180 -61.61 -40.81 96.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.272 0.558 . . . . 74.4 110.884 174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -60.42 -44.67 95.52 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.628 -0.714 . . . . 73.12 111.247 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 29.4 mmt180 -65.01 -46.41 81.48 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.872 0.368 . . . . 63.23 110.819 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.6 -40.26 98.92 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.072 -0.513 . . . . 61.14 113.488 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -85.72 -15.1 43.31 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.417 0.525 . . . . 74.15 112.417 -179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -58.97 -32.24 69.46 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.065 0.46 . . . . 75.3 110.83 178.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -61.96 -39.09 90.95 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.092 0.472 . . . . 73.54 110.57 175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.7 t -67.09 -42.42 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 116.339 -0.391 . . . . 50.42 110.535 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.08 -32.95 66.79 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.236 -0.438 . . . . 51.42 111.501 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.13 -37.06 75.2 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.008 0.432 . . . . 72.41 111.231 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.85 -36.74 78.52 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.403 -0.362 . . . . 71.22 111.956 178.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -105.0 29.79 6.05 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.299 0.571 . . . . 75.11 110.926 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -62.73 130.52 45.3 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.802 -0.636 . . . . 71.35 111.229 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 67.66 64.56 0.4 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 121.329 0.585 . . . . 74.31 111.454 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -61.55 167.64 3.32 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.428 -0.805 . . . . 64.24 111.144 175.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -66.08 106.41 1.61 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.465 0.65 . . . . 71.54 111.371 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -78.51 140.83 38.53 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.717 -0.674 . . . . 73.21 111.714 -177.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -94.44 104.9 16.87 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.161 -0.472 . . . . 64.14 111.562 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -83.52 133.39 34.88 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.276 -0.42 . . . . 74.24 111.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.8 m -86.45 128.14 34.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.671 -0.241 . . . . 75.05 111.062 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.97 100.49 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.451 0.643 . . . . 75.41 111.155 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.402 HG22 ' N ' ' A' ' 91' ' ' GLN . 11.2 p -103.49 159.07 4.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 115.555 -0.748 . . . . 62.03 111.972 -174.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.402 ' N ' HG22 ' A' ' 90' ' ' VAL . 13.4 pt20 . . . . . 0 C--O 1.255 1.379 0 CA-C-N 116.235 -0.439 . . . . 75.15 111.809 175.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.766 0.317 . . . . 61.41 111.277 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.86 85.45 0.08 OUTLIER Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.623 -0.799 . . . . 62.32 113.299 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -79.23 120.7 24.09 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 122.453 -0.439 . . . . 55.12 110.279 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -155.35 149.93 26.25 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.798 0.295 . . . . 72.02 111.798 -175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 m80 -154.21 123.81 6.63 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.02 0.438 . . . . 74.02 111.759 176.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -147.98 98.85 3.0 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.183 -0.462 . . . . 62.42 111.13 175.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -90.33 -22.75 21.38 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 111.715 0.265 . . . . 54.5 111.715 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 -74.44 97.8 3.16 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.987 0.422 . . . . 63.14 110.244 175.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.5 p -72.81 159.27 34.03 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.53 0.681 . . . . 73.54 112.49 -175.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -86.82 110.61 20.07 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.741 -0.663 . . . . 72.01 111.136 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.5 ptp -54.24 -29.87 48.14 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 120.85 0.357 . . . . 64.22 111.87 177.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.06 135.68 55.14 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.313 -0.403 . . . . 73.34 110.813 177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.13 101.1 40.1 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-O 120.775 0.321 . . . . 74.34 111.326 -178.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -91.39 175.51 2.29 Favored 'Trans proline' 0 CA--C 1.544 0.982 0 C-N-CA 123.114 2.543 . . . . 71.41 113.66 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 t -113.78 123.98 51.14 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.952 -0.567 . . . . 61.24 110.949 176.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -100.56 94.63 6.23 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.882 0.372 . . . . 63.21 111.85 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -86.49 60.86 6.48 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 121.176 0.513 . . . . 70.52 111.652 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.76 -56.65 1.5 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.883 . . . . 62.33 110.894 171.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 64.29 10.48 5.65 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.649 0.981 . . . . 71.5 113.649 166.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB3' ' HG3' ' A' ' 25' ' ' GLU . . . -91.4 158.07 16.72 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.046 0.451 . . . . 64.14 111.341 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -94.69 54.77 1.97 Allowed Glycine 0 CA--C 1.528 0.856 0 C-N-CA 120.725 -0.75 . . . . 73.33 113.492 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.572 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 31.4 m -115.02 151.02 34.95 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.086 0.469 . . . . 40.34 111.848 -178.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 27' ' ' ARG . 2.3 tpm_? -50.23 -40.61 48.11 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 121.345 0.593 . . . . 73.41 110.435 173.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.17 -52.41 65.41 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.269 -0.878 . . . . 54.14 111.125 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.572 ' HG2' ' HB2' ' A' ' 22' ' ' SER . 40.5 mm-40 -52.21 -45.29 65.18 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.643 -0.708 . . . . 73.52 111.252 178.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD3' HD21 ' A' ' 29' ' ' LEU . 34.9 mmt180 -61.39 -36.33 79.98 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.98 -0.554 . . . . 73.35 111.561 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 23' ' ' ARG . 14.9 mmm180 -66.93 -42.79 84.73 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.11 0.481 . . . . 75.4 110.466 175.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.59 -54.52 44.45 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.944 -0.571 . . . . 61.25 112.033 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD21 ' HD3' ' A' ' 26' ' ' ARG . 4.4 pp -68.58 -20.98 64.55 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 112.088 0.403 . . . . 61.21 112.088 -178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.58 -40.85 98.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.124 0.488 . . . . 41.4 111.162 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.6 mmm -100.37 -8.23 23.54 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 116.359 -0.382 . . . . 73.43 111.487 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt 66.34 93.94 0.07 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.618 0.767 . . . . 74.22 112.467 177.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 51.4 mm -111.47 124.58 32.26 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.798 -0.637 . . . . 74.52 110.962 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 33' ' ' ILE . 12.6 Cg_exo -70.39 -18.32 34.13 Favored 'Trans proline' 0 CA--C 1.546 1.099 0 C-N-CA 123.021 2.48 . . . . 63.12 114.851 -173.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -116.69 149.33 43.73 Favored Pre-proline 0 CA--C 1.544 0.716 0 N-CA-C 112.423 0.527 . . . . 71.43 112.423 -174.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.32 141.71 82.86 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 123.146 2.564 . . . . 44.41 114.097 -174.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.448 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.4 p -61.07 -41.75 97.21 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.601 -0.727 . . . . 72.3 112.503 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -54.61 -48.86 71.67 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.363 -0.38 . . . . 75.03 111.894 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.06 -40.91 86.62 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.588 -0.278 . . . . 64.1 111.592 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.449 HD13 HG13 ' A' ' 65' ' ' VAL . 65.1 mt -52.68 -39.74 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-O 121.512 0.672 . . . . 52.52 111.228 176.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -74.79 -35.95 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 CA-C-N 115.672 -0.694 . . . . 70.34 112.233 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -82.38 -29.56 30.79 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.959 0.726 . . . . 63.1 112.959 -176.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.3 mt -67.87 139.58 93.42 Favored Pre-proline 0 N--CA 1.472 0.628 0 O-C-N 122.092 -0.38 . . . . 74.14 111.92 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -78.0 172.12 16.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 122.66 2.24 . . . . 75.13 111.968 174.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.89 -39.47 25.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 112.356 0.502 . . . . 70.33 112.356 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.06 -63.0 1.46 Allowed 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.036 0.446 . . . . 73.43 111.598 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -67.64 -25.41 65.72 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.293 -0.412 . . . . 72.02 111.746 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -63.73 -50.68 68.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.022 0.439 . . . . 73.23 110.742 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -59.38 -45.15 92.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.155 -0.475 . . . . 61.33 110.903 176.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 58.6 mm-40 -57.62 -45.91 84.76 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.257 -0.429 . . . . 62.35 111.342 175.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.446 ' HA ' ' HD3' ' A' ' 54' ' ' ARG . 52.0 tp -58.37 -45.98 87.2 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.31 -0.405 . . . . 74.15 111.226 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.1 -30.6 71.14 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.424 -0.353 . . . . 64.01 111.543 176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.47 60.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 120.883 0.373 . . . . 75.44 111.922 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 61.1 mtp180 -62.49 -49.24 76.15 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.833 0.679 . . . . 74.51 112.833 -178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 88.9 m-85 -102.71 143.96 27.66 Favored Pre-proline 0 N--CA 1.471 0.604 0 N-CA-C 112.253 0.464 . . . . 75.4 112.253 -172.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 7.4 Cg_exo -73.45 61.99 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.981 0 C-N-CA 123.156 2.571 . . . . 52.4 112.932 178.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.0 mt -81.32 137.35 35.77 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.94 0.4 . . . . 62.23 111.179 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 79.4 p -68.79 152.84 44.78 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.484 -0.326 . . . . 64.2 110.782 175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -49.08 -39.59 28.48 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 112.636 0.606 . . . . 75.02 112.636 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 38.2 t -64.92 -32.53 74.29 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.056 0.455 . . . . 60.34 111.703 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' VAL . 56.8 mt-30 -69.06 -42.84 75.7 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.277 -0.265 . . . . 52.42 111.429 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -58.91 -40.64 85.13 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-O 120.965 0.412 . . . . 72.22 110.617 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.38 -44.66 84.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.075 -0.511 . . . . 64.23 111.07 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.35 -46.56 88.14 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.362 -0.381 . . . . 64.31 111.281 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 61' ' ' GLN . 71.9 t -57.08 -41.55 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.976 0.417 . . . . 61.4 111.094 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.449 HH11 ' HD2' ' A' ' 66' ' ' ARG . 60.9 mtt180 -64.27 -40.55 96.2 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.249 -0.432 . . . . 72.23 110.989 175.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 31.0 t70 -62.15 -44.74 95.96 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.236 -0.438 . . . . 74.52 110.975 176.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.8 mt -60.04 -44.92 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 CA-C-O 120.862 0.363 . . . . 60.31 111.175 176.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.416 ' HB2' HG22 ' A' ' 40' ' ' ILE . 49.8 ttt180 -59.01 -40.42 84.89 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.0 0.429 . . . . 74.33 110.528 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -62.88 -48.05 80.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.097 -0.501 . . . . 71.32 111.197 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 41.8 mtp85 -59.12 -39.52 82.55 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.115 0.413 . . . . 64.11 112.115 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.77 -49.03 15.0 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 121.085 -0.578 . . . . 75.24 112.774 176.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -61.38 -26.29 67.74 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 120.988 0.423 . . . . 70.32 111.346 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -63.31 -38.86 92.82 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.9 0.381 . . . . 73.12 110.388 177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -64.83 -42.75 94.7 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.008 0.432 . . . . 72.15 110.654 175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.58 -34.78 52.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.265 0.555 . . . . 64.44 110.784 175.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.03 -37.27 61.8 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.259 -0.428 . . . . 72.43 111.25 174.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.65 81.11 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.192 0.442 . . . . 75.33 112.192 -179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -75.62 1.52 14.23 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 111.953 0.353 . . . . 61.03 111.953 178.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -124.18 16.71 9.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.051 0.453 . . . . 62.44 110.44 172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -94.26 148.68 21.97 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.149 0.5 . . . . 74.21 112.09 -174.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtm180 -74.56 123.71 25.3 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.034 -0.53 . . . . 71.54 111.744 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -92.74 139.55 30.44 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.87 0.366 . . . . 73.44 111.345 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 44.4 ttm-85 -85.37 144.27 28.13 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.65 0.738 . . . . 75.02 112.984 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -83.91 127.99 34.23 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.423 -0.808 . . . . 75.44 110.309 169.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.46 85.9 0.11 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 121.434 0.635 . . . . 71.03 111.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.03 99.94 10.17 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.554 -0.748 . . . . 64.43 110.884 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.1 p -85.2 96.1 9.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.086 0.47 . . . . 71.52 111.42 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 61.9 mt -74.65 98.16 1.23 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 116.168 -0.469 . . . . 30.51 111.299 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.95 131.0 37.39 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-O 120.818 0.342 . . . . 71.3 111.099 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.512 -0.756 . . . . 63.11 110.486 178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 120.499 0.19 . . . . 71.53 111.155 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.13 -68.77 0.36 Allowed Glycine 0 CA--C 1.525 0.711 0 C-N-CA 120.7 -0.762 . . . . 73.11 113.647 176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -120.15 101.57 7.92 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 113.012 0.745 . . . . 73.04 113.012 -173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.5 p80 -111.4 133.71 53.51 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.016 -0.538 . . . . 62.2 109.732 171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -118.42 161.33 20.16 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 113.349 0.87 . . . . 74.22 113.349 -169.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -108.83 -80.3 0.58 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.536 -0.756 . . . . 74.52 109.669 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -116.48 103.12 10.11 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.966 0.413 . . . . 72.23 110.61 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -98.23 94.99 7.09 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.424 -0.353 . . . . 73.11 111.742 -176.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.6 t -171.39 159.87 5.84 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.406 0.622 . . . . 71.24 112.096 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -154.46 21.15 0.48 Allowed 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.726 -0.67 . . . . 74.42 110.832 172.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.4 tpp -84.82 96.4 9.29 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.061 -0.518 . . . . 74.11 110.787 178.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -143.66 131.06 20.97 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.92 0.39 . . . . 70.42 111.763 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -154.41 121.77 2.88 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 116.473 -0.33 . . . . 74.43 111.013 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.46 83.15 2.1 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 122.138 1.892 . . . . 62.45 112.228 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -75.11 76.88 2.27 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 121.525 0.678 . . . . 72.54 111.805 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -133.83 150.12 51.39 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.537 -0.756 . . . . 75.15 110.504 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -102.85 -26.18 13.22 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 112.081 0.4 . . . . 75.4 112.081 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.13 -50.0 4.1 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 121.171 -0.537 . . . . 73.05 113.227 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -55.46 142.78 31.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.763 0.316 . . . . 72.22 111.568 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 67.16 2.41 2.77 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.513 0.561 . . . . 73.12 112.513 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.5 167.49 33.93 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 121.127 -0.559 . . . . 71.23 113.019 179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 96.7 p -79.05 -178.37 6.09 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.268 0.556 . . . . 52.11 111.678 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.653 ' NH2' ' HG3' ' A' ' 71' ' ' ARG . 21.3 ttp180 -56.54 -48.0 78.22 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.545 0.688 . . . . 50.23 110.672 173.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -70.91 -23.41 62.27 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.442 -0.799 . . . . 64.31 112.262 -174.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.22 -43.46 74.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 120.686 0.279 . . . . 60.35 111.416 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -60.52 -47.08 87.7 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.173 0.511 . . . . 75.0 111.019 174.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.596 ' HB3' HD21 ' A' ' 64' ' ' LEU . 14.2 mmt180 -59.29 -38.9 81.34 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.828 -0.624 . . . . 73.43 111.433 -179.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.43 -52.51 63.26 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.233 -0.439 . . . . 55.33 111.963 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.96 -21.48 60.01 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 111.847 0.314 . . . . 74.5 111.847 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.02 -47.95 40.52 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.13 0.49 . . . . 73.11 111.515 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.55 ' HG3' HD22 ' A' ' 64' ' ' LEU . 95.3 mmm -90.13 1.98 55.8 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.359 -0.382 . . . . 72.13 111.367 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.6 mtmt 53.65 74.2 0.33 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.615 0.721 . . . . 74.31 111.874 -178.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.7 mm -92.22 119.07 68.36 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 115.603 -0.726 . . . . 44.24 110.778 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' HD2' HD21 ' A' ' 57' ' ' LEU . 66.3 Cg_endo -72.07 16.33 0.36 Allowed 'Trans proline' 0 CA--C 1.548 1.21 0 C-N-CA 122.929 2.419 . . . . 72.1 114.775 -174.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CE2' HD11 ' A' ' 57' ' ' LEU . 37.2 p90 -148.94 147.61 24.67 Favored Pre-proline 0 CA--C 1.543 0.709 0 CA-C-O 120.644 0.259 . . . . 73.25 111.158 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.85 149.17 59.5 Favored 'Trans proline' 0 CA--C 1.543 0.925 0 C-N-CA 122.852 2.368 . . . . 73.33 114.172 -174.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.536 ' HA ' HD12 ' A' ' 40' ' ' ILE . 53.4 p -67.94 -34.21 76.15 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.106 -0.497 . . . . 65.41 111.491 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -52.07 -46.42 65.15 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.195 0.522 . . . . 71.52 110.682 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.5 tttp -60.58 -39.63 88.75 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.887 -0.597 . . . . 73.14 110.963 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 HD13 HG13 ' A' ' 65' ' ' VAL . 69.9 mt -58.87 -28.28 37.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 115.797 -0.638 . . . . 70.14 111.715 177.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.5 t -89.16 -41.2 13.77 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-N 116.214 -0.448 . . . . 70.23 112.119 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -69.36 -30.03 67.95 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 73.51 112.042 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -83.04 127.1 70.66 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 120.897 0.379 . . . . 71.31 111.551 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -67.95 164.78 30.46 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 122.282 1.988 . . . . 72.05 112.018 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.5 p -48.42 -33.34 4.48 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.56 0.578 . . . . 72.43 112.56 -177.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.94 -62.57 1.77 Allowed 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 120.858 0.361 . . . . 71.33 111.206 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -66.08 -30.15 70.61 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.072 0.463 . . . . 73.22 111.568 178.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.423 ' CE1' HG12 ' A' ' 65' ' ' VAL . 82.0 t80 -59.69 -54.91 40.85 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.225 -0.443 . . . . 75.13 111.926 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -59.68 -29.11 67.85 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 120.911 0.386 . . . . 74.01 111.603 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -68.18 -47.31 68.32 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.874 0.369 . . . . 72.35 111.238 172.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.8 tp -53.91 -39.97 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 116.332 -0.395 . . . . 74.43 111.634 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.84 -30.47 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.469 0.544 . . . . 71.35 112.469 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.83 -7.06 56.86 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.16 0.429 . . . . 74.33 112.16 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -103.3 4.09 36.1 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.407 0.521 . . . . 63.54 112.407 -174.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -141.73 136.49 15.42 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 116.667 -0.242 . . . . 72.42 111.206 175.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -66.72 103.54 0.71 Allowed 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.95 2.434 . . . . 64.22 113.03 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.471 HD21 ' HD2' ' A' ' 34' ' ' PRO . 96.4 mt -133.21 145.76 50.87 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.059 0.457 . . . . 73.45 111.427 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.8 p -81.31 157.61 25.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.513 -0.312 . . . . 61.14 110.611 173.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -51.41 -37.02 46.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.165 0.432 . . . . 72.42 112.165 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 42.3 m -63.14 -36.45 83.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.063 0.459 . . . . 74.03 111.062 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.1 mt-30 -72.58 -43.21 63.69 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.11 -0.495 . . . . 75.13 111.433 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.01 -45.39 92.93 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 122.19 -0.319 . . . . 62.42 111.446 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.87 -37.72 63.99 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.224 0.535 . . . . 53.12 111.197 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 27' ' ' ARG . 55.0 tp -67.61 -53.76 25.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.808 -0.633 . . . . 61.14 111.248 176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.544 HG13 HD13 ' A' ' 40' ' ' ILE . 98.1 t -54.49 -39.94 47.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.037 0.446 . . . . 74.14 111.796 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -65.75 -35.23 80.15 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-O 120.805 0.336 . . . . 74.51 111.345 177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.592 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 17.2 t70 -65.22 -48.74 72.29 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.932 0.396 . . . . 73.53 110.279 175.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -49.51 -50.91 16.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 115.915 -0.584 . . . . 73.42 111.369 176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.1 tmm_? -58.28 -43.62 88.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 116.199 -0.455 . . . . 75.43 111.247 177.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -56.59 -36.4 69.34 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 111.977 0.362 . . . . 65.34 111.977 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.653 ' HG3' ' NH2' ' A' ' 23' ' ' ARG . 18.0 mmt180 -81.94 -62.91 1.5 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.257 0.551 . . . . 73.03 111.586 -176.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.79 -36.28 91.56 Favored Glycine 0 CA--C 1.528 0.881 0 CA-C-N 116.029 -0.532 . . . . 65.13 114.39 -174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -60.09 -19.55 53.77 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 122.401 -0.47 . . . . 44.55 111.974 -176.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -55.62 -38.42 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.966 0.412 . . . . 70.12 111.473 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -67.05 -39.92 87.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.184 0.516 . . . . 74.34 110.865 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.438 ' O ' HG12 ' A' ' 76' ' ' VAL . 12.7 t -91.39 33.01 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.844 0 CA-C-O 121.663 0.744 . . . . 75.02 110.971 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.28 -20.75 11.27 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.993 -0.442 . . . . 74.41 112.139 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.08 -42.59 73.01 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.848 0.684 . . . . 63.22 112.848 -174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -74.14 -18.78 60.74 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.449 0.537 . . . . 72.34 112.449 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -125.63 22.98 7.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.084 0.469 . . . . 71.32 111.842 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -82.87 -172.67 4.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.129 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.7 147.02 28.97 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 122.066 -0.396 . . . . 75.23 111.741 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.485 ' NZ ' ' HB3' ' A' ' 83' ' ' LYS . 8.5 mtpm? 68.87 -0.76 2.26 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.82 0.674 . . . . 51.15 112.82 -178.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -107.18 156.05 19.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 122.065 -0.397 . . . . 73.44 110.883 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -75.0 79.52 2.19 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 121.218 0.532 . . . . 75.42 111.072 177.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.583 ' HG ' ' HG2' ' A' ' 87' ' ' GLU . 2.4 pt? -67.02 -179.93 1.02 Allowed 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.693 -0.685 . . . . 53.5 112.606 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.583 ' HG2' ' HG ' ' A' ' 86' ' ' LEU . 19.5 mm-40 61.05 44.04 10.69 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.692 0.758 . . . . 74.24 111.689 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -141.71 110.26 6.05 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.666 -0.697 . . . . 73.12 110.521 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.08 99.26 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.103 0.478 . . . . 73.44 111.874 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.1 m -115.53 148.46 18.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-N 116.225 -0.443 . . . . 62.34 111.023 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 . . . . . 0 C--O 1.254 1.297 0 CA-C-O 118.88 -0.581 . . . . 74.41 111.755 -176.353 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.6 0.238 . . . . 70.32 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.78 94.28 0.63 Allowed Glycine 0 CA--C 1.527 0.812 0 C-N-CA 121.171 -0.538 . . . . 64.45 113.436 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -85.95 85.66 7.37 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.371 0.605 . . . . 74.13 110.9 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -106.76 111.15 23.55 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.678 -0.692 . . . . 60.34 111.029 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -132.56 165.94 23.23 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.271 0.558 . . . . 65.41 112.474 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.0 m80 -130.13 160.37 33.99 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.89 -0.595 . . . . 65.33 110.348 174.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -161.17 119.0 2.36 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.385 0.513 . . . . 73.31 112.385 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 -143.98 146.89 33.22 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.23 0.538 . . . . 72.32 112.154 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.6 p -153.68 166.03 34.09 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.756 -0.656 . . . . 72.54 111.121 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.48 156.3 46.39 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.881 0.372 . . . . 51.32 111.299 176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -139.68 124.5 18.49 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 121.05 0.452 . . . . 74.41 111.406 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.66 137.36 51.61 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.292 -0.413 . . . . 61.21 111.237 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -104.49 151.35 39.17 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-N 116.428 -0.351 . . . . 61.41 111.31 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -73.34 110.09 2.98 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.196 1.93 . . . . 71.4 112.512 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 t -91.38 151.06 21.0 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.95 0.405 . . . . 73.22 111.548 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.65 109.87 22.33 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.027 0.441 . . . . 73.11 111.068 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -74.09 107.97 6.61 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.436 -0.347 . . . . 73.43 111.306 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 124.91 -93.46 0.44 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 121.262 -0.494 . . . . 71.35 112.73 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 65.07 12.34 7.86 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 112.393 0.516 . . . . 73.11 112.393 179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.59 89.67 1.31 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 121.077 0.465 . . . . 44.22 111.609 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -164.64 -102.37 0.16 Allowed Glycine 0 CA--C 1.525 0.664 0 C-N-CA 121.157 -0.544 . . . . 73.12 112.986 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.427 ' H ' ' HB2' ' A' ' 25' ' ' GLU . 73.0 m -148.87 172.59 14.43 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.996 0.427 . . . . 53.35 111.882 -179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -45.07 -60.22 2.2 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.782 -0.644 . . . . 63.44 112.225 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.1 -40.95 71.0 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.025 -0.534 . . . . 75.12 111.783 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.427 ' HB2' ' H ' ' A' ' 22' ' ' SER . 22.6 mm-40 -58.48 -47.68 83.26 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.28 -0.418 . . . . 75.3 111.526 176.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 67.6 mtp180 -68.76 -34.04 74.9 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 120.608 0.242 . . . . 73.23 111.412 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -58.88 -44.67 91.17 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.154 0.502 . . . . 65.44 110.689 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.26 -48.74 80.45 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.833 -0.621 . . . . 73.22 112.122 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.87 -21.59 54.72 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.578 0.584 . . . . 75.03 112.578 -177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.56 -46.97 44.24 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.016 0.436 . . . . 61.34 111.552 176.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 92.1 mmm -81.64 -11.77 58.97 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.199 -0.455 . . . . 64.12 111.059 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt 64.6 84.1 0.16 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.758 0.823 . . . . 73.12 112.135 -176.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 47.8 mm -93.05 114.79 63.69 Favored Pre-proline 0 CA--C 1.544 0.717 0 CA-C-N 115.746 -0.661 . . . . 65.41 110.307 174.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -76.35 24.85 0.44 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 122.808 2.339 . . . . 51.24 114.467 -173.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -155.52 153.39 26.38 Favored Pre-proline 0 CA--C 1.543 0.681 0 CA-C-O 120.799 0.333 . . . . 73.21 111.691 179.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -63.4 141.26 80.45 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 123.054 2.503 . . . . 72.41 113.881 -175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.417 ' HA ' HD12 ' A' ' 40' ' ' ILE . 47.8 p -66.62 -21.98 66.12 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.05 -0.523 . . . . 73.13 111.73 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -58.34 -58.2 9.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.894 0.378 . . . . 55.24 110.835 174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -50.92 -35.84 35.29 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.057 -0.519 . . . . 71.41 111.828 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' A' ' 37' ' ' THR . 63.0 mt -55.7 -44.41 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 121.27 0.557 . . . . 52.44 111.927 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.5 t -95.29 -20.09 6.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 CA-C-N 116.154 -0.476 . . . . 73.44 111.948 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.483 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -80.16 -40.1 27.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.62 0.6 . . . . 63.44 112.62 -176.556 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -78.7 149.23 74.19 Favored Pre-proline 0 CA--C 1.542 0.656 0 N-CA-C 112.595 0.591 . . . . 72.41 112.595 -177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.98 172.93 11.93 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 122.582 2.188 . . . . 74.04 111.979 172.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.8 p -54.37 -46.18 69.58 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.736 0 N-CA-C 113.29 0.848 . . . . 74.03 113.29 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -62.3 -53.85 49.1 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.039 0.385 . . . . 72.3 112.039 -174.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.97 -38.04 84.55 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.044 0.449 . . . . 74.44 110.919 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -56.66 -42.95 79.83 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.832 -0.622 . . . . 74.32 111.07 175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -58.27 -46.68 85.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.97 0.414 . . . . 71.22 111.136 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 39.0 mt-10 -61.12 -43.5 98.79 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.137 -0.483 . . . . 72.01 111.099 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.5 tp -50.2 -45.7 53.85 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.213 -0.449 . . . . 74.53 111.427 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.44 -31.07 72.13 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.065 -0.516 . . . . 75.32 112.149 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.75 -33.93 19.8 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.443 0.535 . . . . 34.43 112.443 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 99.7 mtt180 -69.16 -36.32 77.26 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.841 0.353 . . . . 63.41 111.768 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -97.79 142.68 24.94 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.79 0.329 . . . . 64.3 111.622 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.47 89.61 0.33 Allowed 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.254 1.969 . . . . 54.53 112.011 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 89.2 mt -113.16 144.46 42.62 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 121.06 0.457 . . . . 73.33 112.195 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.4 p -89.52 162.66 15.58 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.3 -0.409 . . . . 62.43 110.484 174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -49.93 -42.31 48.07 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 120.848 0.356 . . . . 70.44 111.691 -179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -66.22 -35.09 79.53 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.444 -0.344 . . . . 75.05 111.795 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.541 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.4 mt-30 -69.84 -46.05 66.47 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 111.646 0.239 . . . . 73.33 111.646 178.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 6.7 mp -55.1 -41.97 72.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.026 0.441 . . . . 73.12 110.353 173.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.17 -49.11 79.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.045 -0.525 . . . . 71.22 111.31 176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.83 -41.21 90.86 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.845 0.355 . . . . 75.24 111.79 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 61' ' ' GLN . 77.2 t -63.45 -44.57 98.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 120.698 0.285 . . . . 70.14 111.274 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 75.7 mtt-85 -68.57 -32.55 72.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.913 0.387 . . . . 74.04 110.629 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.415 ' CG ' HH12 ' A' ' 71' ' ' ARG . 33.9 t70 -59.1 -52.08 67.26 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.83 -0.623 . . . . 74.11 110.994 177.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.4 mt -65.03 -44.08 95.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 121.076 0.465 . . . . 73.52 111.183 175.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -53.23 -43.24 67.13 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.797 177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.5 -59.54 4.83 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 116.094 -0.503 . . . . 73.05 111.349 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.415 HH12 ' CG ' ' A' ' 67' ' ' ASP . 91.4 mtm-85 -58.91 -35.56 73.27 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.165 0.432 . . . . 65.12 112.165 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.13 92.9 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.898 -0.667 . . . . 75.32 113.402 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -92.52 -12.9 30.7 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.644 0.609 . . . . 72.41 112.644 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -62.8 -30.09 71.2 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.337 0.589 . . . . 51.23 109.896 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -54.78 -39.23 68.18 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.48 -0.782 . . . . 74.22 110.534 173.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.0 t -76.27 -45.37 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 CA-C-N 115.922 -0.581 . . . . 73.13 110.482 175.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.47 -34.99 65.03 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.005 -0.543 . . . . 74.44 111.988 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.08 -34.27 68.13 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.856 0.36 . . . . 71.23 111.744 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -91.48 -2.84 57.1 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.943 0.401 . . . . 64.24 111.587 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -130.49 22.37 5.13 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.315 0.579 . . . . 54.03 110.781 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -76.46 -42.4 43.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.74 -0.663 . . . . 65.4 111.851 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.634 ' HA ' ' NE ' ' A' ' 82' ' ' ARG . 2.8 mmp_? -87.69 80.05 8.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.61 0.719 . . . . 73.11 112.352 -178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -80.18 127.56 32.48 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 115.128 -0.942 . . . . 71.53 110.265 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -80.84 147.77 30.26 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 121.083 0.468 . . . . 75.54 111.892 -171.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -142.35 105.1 4.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.376 -0.374 . . . . 74.14 111.435 -173.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.3 mm? -86.67 152.14 22.82 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.392 -0.367 . . . . 73.33 111.374 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.87 110.37 2.84 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.971 0.36 . . . . 71.44 111.971 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.3 m -104.13 103.43 13.22 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.784 -0.45 . . . . 74.24 109.784 172.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mt -71.57 86.35 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.553 0.692 . . . . 74.41 112.259 -172.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.72 145.28 12.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 CA-C-N 115.782 -0.645 . . . . 70.21 110.952 175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.105 0 N-CA-C 112.443 0.534 . . . . 74.44 112.443 -177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 120.611 0.243 . . . . 73.13 111.137 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.92 139.44 15.78 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 121.223 -0.513 . . . . 62.04 112.516 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -83.57 12.52 5.6 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 122.333 -0.51 . . . . 72.14 111.891 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -140.62 143.31 35.15 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.679 0.392 . . . . 63.11 110.47 174.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -82.08 104.09 12.17 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 121.055 0.455 . . . . 71.23 111.387 -178.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -80.42 173.81 12.23 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.563 -0.29 . . . . 64.22 111.107 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 7' ' ' HIS . 50.7 t60 58.06 33.94 23.7 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.737 0.78 . . . . 72.54 110.516 -172.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -76.77 69.86 3.18 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 121.376 0.608 . . . . 54.53 111.932 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -169.99 168.41 8.59 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.968 -0.56 . . . . 63.41 111.384 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.4 p80 -125.5 23.19 7.53 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.737 0.304 . . . . 72.32 111.196 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 96.6 mmm -67.85 -32.03 72.27 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.542 -0.299 . . . . 54.51 111.255 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.08 123.54 28.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.526 -0.306 . . . . 74.12 110.633 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -77.97 114.13 39.17 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 112.97 0.73 . . . . 63.34 112.97 -171.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -92.51 113.61 0.29 Allowed 'Trans proline' 0 CA--C 1.543 0.956 0 C-N-CA 123.227 2.618 . . . . 54.33 112.509 174.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 51.1 p -135.23 -72.43 0.47 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 111.76 0.281 . . . . 62.4 111.76 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.56 102.54 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.198 0.444 . . . . 75.14 112.198 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -89.84 157.95 17.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.832 0.349 . . . . 75.35 111.171 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -121.03 133.23 9.54 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.097 -0.573 . . . . 51.12 112.923 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -67.63 140.57 56.87 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.988 0.423 . . . . 74.0 111.739 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.65 -67.34 1.0 Allowed 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.269 -0.423 . . . . 74.02 110.769 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.35 56.46 1.11 Allowed Glycine 0 CA--C 1.529 0.959 0 N-CA-C 114.994 0.758 . . . . 54.34 114.994 170.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 58.7 m -86.9 152.66 22.24 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 122.158 -0.613 . . . . 35.41 110.122 169.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 23' ' ' ARG . 18.7 mtm180 -49.09 -44.06 41.8 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 121.461 0.648 . . . . 73.42 110.726 177.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -55.47 -57.28 12.56 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 115.113 -0.949 . . . . 74.22 111.565 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -55.54 -41.64 73.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 120.922 0.391 . . . . 74.44 112.054 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 22' ' ' SER . 61.8 mtp180 -63.78 -35.59 81.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.641 0.258 . . . . 63.4 111.577 -177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -62.9 -36.38 83.14 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.078 0.466 . . . . 75.42 110.749 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.17 -53.05 50.79 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.244 -0.434 . . . . 74.34 111.755 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.4 pp -70.08 -24.09 63.18 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.012 0.375 . . . . 62.43 112.012 -179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.05 92.97 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.142 0.496 . . . . 50.44 110.916 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.492 ' HG3' HD22 ' A' ' 64' ' ' LEU . 92.7 mmm -96.06 8.22 44.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.921 -0.581 . . . . 74.33 111.443 176.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.499 ' HB3' ' NZ ' ' A' ' 32' ' ' LYS . 7.3 mtpm? 56.78 69.92 0.7 Allowed 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.647 0.61 . . . . 73.15 112.647 178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.34 117.48 67.42 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-N 116.303 -0.408 . . . . 74.25 110.845 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -80.66 27.53 0.56 Allowed 'Trans proline' 0 CA--C 1.546 1.1 0 C-N-CA 122.92 2.414 . . . . 41.44 114.324 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -155.64 144.65 14.96 Favored Pre-proline 0 N--CA 1.472 0.637 0 O-C-N 122.242 -0.286 . . . . 74.33 111.498 176.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -67.29 137.79 44.68 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.727 2.284 . . . . 74.11 113.78 -175.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.555 ' HA ' HD12 ' A' ' 40' ' ' ILE . 60.2 p -63.64 -33.77 76.36 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.917 -0.583 . . . . 70.04 111.671 -178.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -48.97 -49.84 38.64 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.262 0.553 . . . . 74.41 110.941 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.3 -42.09 99.07 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.888 -0.597 . . . . 73.35 111.182 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 37' ' ' THR . 73.8 mt -52.68 -42.92 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 CA-C-O 121.342 0.591 . . . . 73.52 111.366 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.5 t -76.85 -33.63 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 115.928 -0.578 . . . . 70.03 112.097 -178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.523 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.8 OUTLIER -78.51 -33.34 48.11 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.571 0.582 . . . . 73.31 112.571 -176.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.4 mt -69.13 147.6 97.54 Favored Pre-proline 0 N--CA 1.47 0.551 0 CA-C-O 121.002 0.43 . . . . 71.53 112.032 -178.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.95 168.95 23.14 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.347 2.031 . . . . 64.23 111.713 172.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.3 p -54.62 -34.0 28.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 CA-C-O 120.901 0.381 . . . . 74.32 111.735 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.49 -61.36 2.55 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 122.581 0.352 . . . . 73.5 111.597 178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.96 -35.58 78.88 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.803 0.335 . . . . 70.22 111.773 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -58.26 -51.34 70.19 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.999 0.428 . . . . 73.03 111.433 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -57.24 -44.26 83.68 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.314 -0.403 . . . . 75.34 111.19 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 43.7 mt-10 -59.37 -46.6 88.22 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.257 -0.429 . . . . 74.4 111.078 176.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.84 -45.42 74.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.991 -0.549 . . . . 74.24 111.546 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.63 -30.41 70.68 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 112.304 0.483 . . . . 72.33 112.304 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.61 24.91 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.257 0.466 . . . . 72.12 112.257 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 90.4 mtt180 -69.71 -49.47 53.0 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -84.7 132.81 45.34 Favored Pre-proline 0 CA--C 1.54 0.56 0 O-C-N 122.223 -0.298 . . . . 74.15 111.493 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.88 87.44 1.31 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.604 2.202 . . . . 73.2 112.826 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.587 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 81.6 mt -107.82 159.41 16.52 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.154 -0.475 . . . . 72.11 111.272 -178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.423 ' OG1' ' HG3' ' A' ' 61' ' ' GLN . 43.4 p -80.66 157.74 25.85 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 110.296 -0.261 . . . . 74.22 110.296 173.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -51.01 -37.46 45.28 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.847 0.356 . . . . 62.24 111.762 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.3 m -63.4 -41.54 98.74 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.404 -0.362 . . . . 74.52 111.49 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.587 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 55.3 mt-30 -64.67 -45.39 86.89 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.852 -0.158 . . . . 64.12 111.417 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.47 -42.0 86.5 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-O 120.904 0.383 . . . . 74.32 110.919 176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.83 96.73 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.982 0.42 . . . . 51.13 111.175 176.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' A' ' 31' ' ' MET . 59.8 tp -56.76 -50.51 72.06 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.06 -0.518 . . . . 70.12 111.072 176.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 40' ' ' ILE . 73.1 t -56.4 -37.0 49.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.216 -0.447 . . . . 72.2 111.609 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.9 mtt-85 -67.95 -36.98 81.02 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 122.156 -0.34 . . . . 71.41 111.267 176.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -66.29 -42.31 88.56 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.853 0.359 . . . . 65.02 110.421 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.449 HD13 HG22 ' A' ' 37' ' ' THR . 76.7 mt -57.08 -46.61 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.095 0.474 . . . . 74.34 111.027 175.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -59.4 -45.05 92.58 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.137 0.494 . . . . 74.52 111.366 176.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 tpt85 -63.98 -48.65 75.59 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 116.135 -0.484 . . . . 74.23 112.046 -178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' NH2' HG12 ' A' ' 68' ' ' ILE . 23.1 ptt180 -76.88 -30.27 56.16 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.859 0.362 . . . . 73.12 111.759 -179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.21 -48.76 44.12 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.171 -0.537 . . . . 72.01 112.794 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.15 -25.78 66.34 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 122.403 -0.469 . . . . 73.52 110.49 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.402 ' HB3' ' O ' ' A' ' 71' ' ' ARG . 46.4 t30 -54.25 -31.94 54.79 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.996 0.426 . . . . 71.22 111.039 174.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.36 -40.37 74.4 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 121.11 0.481 . . . . 75.31 111.103 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.3 -18.25 7.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-N 115.921 -0.581 . . . . 74.32 111.721 -178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.66 -46.4 10.21 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.454 0.909 . . . . 53.34 113.454 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.5 80.67 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.099 0.407 . . . . 62.43 112.099 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -81.52 -33.15 31.98 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.909 0.385 . . . . 75.02 111.465 -179.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -76.37 -17.98 59.12 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 121.006 0.431 . . . . 74.24 111.031 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.466 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 33.6 t80 -59.06 157.64 9.88 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 116.292 -0.413 . . . . 53.55 111.284 178.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 81' ' ' TYR . 25.7 mmt180 72.37 19.75 4.22 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.839 0.456 . . . . 53.42 112.101 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -94.34 120.96 35.35 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.503 -0.317 . . . . 71.54 110.158 174.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 84' ' ' ARG . 62.6 mtt180 -96.67 170.5 9.15 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.281 0.562 . . . . 75.1 112.459 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.1 mtmt -92.35 107.82 19.5 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.807 -0.633 . . . . 73.14 110.079 171.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 71.6 mt -101.07 71.61 1.41 Allowed 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 112.18 0.437 . . . . 70.41 112.18 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -83.77 149.05 26.69 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.181 0.515 . . . . 75.2 111.599 176.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.1 t -139.59 178.2 7.39 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.1 -0.5 . . . . 50.25 111.274 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.85 140.07 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 CA-C-O 120.71 0.29 . . . . 63.23 111.249 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -152.34 131.49 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.933 0.397 . . . . 74.44 111.756 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 . . . . . 0 C--O 1.253 1.262 0 CA-C-O 118.954 -0.546 . . . . 72.12 111.873 178.581 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.599 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 112.021 0.378 . . . . 63.41 112.021 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.14 113.57 2.93 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 121.094 -0.574 . . . . 60.42 113.03 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -87.47 85.96 7.18 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.105 0.479 . . . . 71.21 111.44 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -69.12 98.2 0.97 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.359 0.6 . . . . 71.11 112.369 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -108.1 104.62 14.09 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.971 -0.559 . . . . 70.22 111.052 176.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -98.63 152.32 19.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 120.894 0.378 . . . . 73.44 111.595 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -63.5 159.64 18.12 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.19 0.519 . . . . 73.24 112.396 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -108.65 -51.11 2.93 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.777 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -136.66 161.02 37.09 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.285 0.564 . . . . 72.15 112.147 -175.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -165.14 119.89 1.31 Allowed 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.617 -0.72 . . . . 61.23 110.647 175.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -173.46 158.88 3.56 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.935 0.397 . . . . 75.24 111.826 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.81 138.72 43.56 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.964 0.411 . . . . 71.34 111.486 177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.588 ' HE2' ' HD2' ' A' ' 14' ' ' PRO . 14.5 mmmm -95.55 151.27 38.44 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 116.475 -0.33 . . . . 74.15 111.542 178.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.588 ' HD2' ' HE2' ' A' ' 13' ' ' LYS . 42.9 Cg_endo -67.06 136.82 42.28 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 122.583 2.189 . . . . 74.02 113.012 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.6 m -85.08 108.71 17.79 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.36 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -84.63 115.34 22.59 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 111.729 0.27 . . . . 73.12 111.729 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -111.65 171.54 7.43 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 120.711 0.291 . . . . 74.25 111.446 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -162.4 146.65 12.19 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 121.164 -0.541 . . . . 51.13 113.234 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -140.6 141.32 35.17 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.154 0.502 . . . . 72.1 111.924 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.79 155.07 45.6 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.875 -0.602 . . . . 44.24 110.962 178.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.6 83.98 0.34 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.957 -0.639 . . . . 71.35 114.133 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.497 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 42.0 t 177.75 153.07 0.27 Allowed 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 120.956 0.408 . . . . 44.21 111.635 176.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -58.37 -40.75 83.11 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.167 0.508 . . . . 73.13 110.676 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.49 -41.51 96.42 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.869 -0.605 . . . . 70.42 111.104 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.497 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 6.0 mm-40 -56.2 -40.27 73.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.81 -0.632 . . . . 72.31 111.149 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -59.04 -40.77 86.08 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.369 -0.378 . . . . 72.23 111.174 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -63.3 -44.69 94.29 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.05 0.452 . . . . 62.25 110.785 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.05 -58.14 9.99 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.934 -0.576 . . . . 62.35 112.087 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.5 pp -65.16 -28.25 69.28 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 111.796 0.295 . . . . 63.13 111.796 -178.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.404 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -64.81 -37.15 86.65 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.948 0.404 . . . . 71.31 111.266 175.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.565 ' HG3' HD22 ' A' ' 64' ' ' LEU . 96.4 mmm -99.18 11.65 38.44 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 116.362 -0.381 . . . . 72.33 111.321 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 56.11 48.21 18.04 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.606 0.595 . . . . 72.23 112.606 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.6 mm -75.74 119.67 78.16 Favored Pre-proline 0 CA--C 1.546 0.791 0 CA-C-N 115.814 -0.63 . . . . 64.24 110.924 175.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -82.52 29.27 0.55 Allowed 'Trans proline' 0 CA--C 1.546 1.105 0 C-N-CA 122.889 2.393 . . . . 45.54 114.496 -175.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -157.16 144.6 13.78 Favored Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 111.833 0.309 . . . . 73.25 111.833 176.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -66.79 147.83 81.63 Favored 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 123.176 2.584 . . . . 73.3 114.065 -173.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.551 ' HA ' HD12 ' A' ' 40' ' ' ILE . 69.1 p -71.81 -35.16 69.86 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.854 -0.612 . . . . 63.34 112.506 -177.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -56.88 -42.56 80.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.893 0.378 . . . . 73.13 110.992 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -60.79 -48.95 79.49 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.405 -0.361 . . . . 73.43 110.475 176.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.553 HD13 HG13 ' A' ' 65' ' ' VAL . 80.1 mt -48.98 -46.55 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 121.221 0.534 . . . . 64.43 111.784 177.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.573 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 60.6 t -70.84 -40.82 77.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.931 -0.577 . . . . 74.13 112.427 -177.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -90.09 -2.83 58.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.1 0.778 . . . . 73.2 113.1 -175.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 27.8 mt -75.37 145.41 79.65 Favored Pre-proline 0 N--CA 1.472 0.632 0 O-C-N 122.168 -0.332 . . . . 72.24 111.217 173.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 47' ' ' ASP . 33.8 Cg_exo -58.7 160.7 16.84 Favored 'Trans proline' 0 CA--C 1.535 0.551 0 C-N-CA 122.397 2.065 . . . . 74.14 112.035 171.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.86 -40.23 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 64.43 110.97 176.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -67.38 -53.96 24.72 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.038 -0.528 . . . . 72.13 111.684 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.525 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -62.38 -32.31 73.11 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.677 0.275 . . . . 72.33 111.719 179.584 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.56 -50.12 73.92 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-O 120.962 0.411 . . . . 75.32 110.977 174.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -61.58 -40.59 95.3 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 116.349 -0.387 . . . . 64.41 111.062 177.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.3 mm-40 -55.5 -47.96 75.36 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.955 0.407 . . . . 62.33 110.647 172.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.6 tp -51.24 -53.69 32.92 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.94 -0.573 . . . . 74.42 111.611 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD21 HG11 ' A' ' 65' ' ' VAL . 84.4 mt -68.45 -21.98 64.61 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.379 0.511 . . . . 64.24 112.379 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.72 -19.6 34.94 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.088 0.47 . . . . 54.44 111.502 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 83.4 mtt180 -94.17 -28.67 15.53 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.134 0.42 . . . . 73.11 112.134 -178.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -100.88 115.96 64.66 Favored Pre-proline 0 N--CA 1.471 0.619 0 N-CA-C 111.72 0.267 . . . . 73.34 111.72 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.33 75.81 1.85 Allowed 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.627 2.218 . . . . 73.32 112.974 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 83.1 mt -94.2 158.2 15.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.994 -0.548 . . . . 62.22 111.325 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 70.7 p -80.26 157.91 26.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 116.526 -0.306 . . . . 70.15 110.831 175.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -43.33 -55.75 3.9 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 112.99 0.737 . . . . 74.32 112.99 -175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.4 m -54.94 -32.69 61.54 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.562 0.578 . . . . 64.01 112.562 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.2 mt-30 -70.98 -45.87 63.31 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 111.587 0.217 . . . . 70.13 111.587 -179.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 62' ' ' LEU . 6.0 mp -64.21 -39.84 94.81 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.951 0.405 . . . . 74.21 110.588 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -38.14 73.1 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.088 -0.505 . . . . 63.15 111.113 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.565 HD22 ' HG3' ' A' ' 31' ' ' MET . 54.8 tp -71.21 -51.85 22.4 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.405 -0.361 . . . . 72.42 111.331 176.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.553 HG13 HD13 ' A' ' 40' ' ' ILE . 86.4 t -52.34 -45.2 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 112.206 0.447 . . . . 74.12 112.206 -178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 66' ' ' ARG . 46.9 mtt180 -64.21 -35.29 80.33 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.898 0.38 . . . . 72.22 111.415 177.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.43 ' O ' ' HG3' ' A' ' 71' ' ' ARG . 38.7 t70 -71.47 -36.34 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 120.757 0.313 . . . . 61.55 111.019 177.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LEU . 75.3 mt -59.96 -44.94 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 CA-C-O 120.75 0.31 . . . . 71.12 111.458 178.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.573 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 44.9 ttt-85 -58.87 -39.01 80.1 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.412 0.625 . . . . 72.5 110.207 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -64.95 -40.54 95.18 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.697 -0.683 . . . . 70.03 111.125 174.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 23.8 mtp180 -68.22 -28.06 66.91 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.917 -0.583 . . . . 71.11 112.105 178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.1 -40.54 11.37 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.75 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -76.37 -24.91 54.18 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.857 0.688 . . . . 61.43 112.857 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -57.21 -33.39 67.47 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.959 -0.463 . . . . 70.44 111.821 -175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -67.32 -58.27 5.11 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 120.907 0.385 . . . . 55.44 111.108 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.54 -21.98 30.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.169 0.509 . . . . 63.44 111.553 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.78 -30.41 70.02 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.352 -0.385 . . . . 61.03 111.328 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.93 -29.47 63.14 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 120.99 0.424 . . . . 74.14 111.4 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -73.7 -36.92 65.33 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.078 0.466 . . . . 73.12 110.909 175.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -93.84 -3.12 52.47 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 115.996 -0.547 . . . . 71.12 111.975 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -71.65 120.14 16.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.172 0.511 . . . . 63.02 111.799 -179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -75.05 129.51 37.72 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.044 -0.525 . . . . 65.53 110.762 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -83.4 160.76 21.54 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.022 0.439 . . . . 72.21 111.617 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 84' ' ' ARG . 15.5 ptt180 -73.33 150.16 42.07 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 121.185 0.517 . . . . 74.24 112.256 -178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -83.32 137.66 33.88 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 115.889 -0.596 . . . . 63.21 110.262 174.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.6 mt -65.24 160.21 22.01 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.302 0.572 . . . . 74.43 111.829 179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -76.46 -164.07 0.37 Allowed 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.691 -0.686 . . . . 72.14 111.407 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.5 p -50.68 116.8 2.1 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.355 -0.384 . . . . 74.34 111.631 175.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.3 mm -72.99 121.97 24.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-O 121.094 0.474 . . . . 64.43 111.818 -176.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.3 m -70.58 176.84 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 116.188 -0.46 . . . . 44.15 111.73 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 118.394 -0.812 . . . . 71.5 111.819 176.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 120.795 0.331 . . . . 74.13 111.185 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.73 -167.51 40.65 Favored Glycine 0 CA--C 1.521 0.468 0 CA-C-N 116.247 -0.433 . . . . 55.32 112.202 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -130.08 126.55 37.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 117.249 0.525 . . . . 72.12 111.594 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.8 m80 -86.25 113.01 21.92 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.986 0.422 . . . . 72.15 111.102 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -106.28 159.29 16.23 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.46 -0.336 . . . . 72.21 111.511 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -160.12 121.51 3.14 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.044 0.45 . . . . 42.32 111.86 178.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -121.68 135.59 54.96 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.554 0.342 . . . . 72.33 110.724 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -142.47 139.95 31.72 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 112.585 0.587 . . . . 71.31 112.585 -172.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.8 p -127.74 150.93 49.57 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.943 -0.571 . . . . 64.21 110.873 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -93.05 -69.66 0.74 Allowed 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.787 0.327 . . . . 73.14 111.746 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.9 ttt -87.73 114.54 24.44 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.124 -0.36 . . . . 74.24 110.828 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.51 87.15 2.65 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 111.963 0.357 . . . . 54.43 111.963 -177.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 65.21 137.36 0.05 OUTLIER Pre-proline 0 N--CA 1.479 0.976 0 N-CA-C 112.617 0.599 . . . . 65.04 112.617 177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.81 176.48 9.79 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.391 2.06 . . . . 52.3 112.512 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.4 m -150.56 121.19 7.48 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.089 -0.382 . . . . 73.24 111.291 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.86 158.49 15.49 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.231 0.539 . . . . 75.35 112.315 -176.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -115.94 133.21 56.26 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 115.824 -0.625 . . . . 71.51 110.992 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 145.47 98.66 0.24 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.915 -0.659 . . . . 33.42 113.152 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -105.28 152.39 22.95 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.849 0.357 . . . . 74.44 110.962 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 25' ' ' GLU . . . -148.68 176.7 10.13 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.977 0.417 . . . . 74.12 111.835 -176.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.26 -54.06 0.31 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 121.007 -0.616 . . . . 43.43 113.955 -176.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 m -72.51 157.65 37.2 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.67 0.619 . . . . 43.33 112.67 -172.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -56.31 21.52 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 116.239 -0.437 . . . . 63.54 111.48 177.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.966 ' HB3' HH22 ' A' ' 71' ' ' ARG . 0.0 OUTLIER -54.45 -47.89 72.38 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 116.479 -0.328 . . . . 73.14 111.705 178.217 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.421 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 84.9 mt-10 -51.15 -46.91 62.17 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 120.871 0.367 . . . . 62.1 111.583 174.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.8 mmt85 -63.96 -35.55 81.05 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 111.922 0.342 . . . . 73.23 111.922 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -71.99 -37.46 69.84 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.843 0.354 . . . . 74.52 111.215 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.75 -57.23 13.83 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.142 -0.481 . . . . 72.22 111.923 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 30' ' ' ALA . 3.9 pp -64.86 -26.28 68.26 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 116.456 -0.338 . . . . 74.02 111.836 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -70.25 -43.24 70.94 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.947 0.404 . . . . 72.25 111.503 176.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.0 mmm -87.39 14.3 8.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 116.324 -0.398 . . . . 72.41 111.867 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp 61.95 53.84 2.95 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 112.446 0.535 . . . . 74.11 112.446 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.8 mm -92.48 112.37 55.09 Favored Pre-proline 0 CA--C 1.543 0.701 0 CA-C-N 116.628 -0.26 . . . . 72.43 110.458 174.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -77.09 -12.37 17.58 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.791 2.327 . . . . 75.22 114.441 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -113.9 144.17 30.99 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 120.801 0.334 . . . . 72.32 111.774 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -66.25 147.53 83.56 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 123.04 2.494 . . . . 73.52 114.023 -174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.439 ' HA ' HD12 ' A' ' 40' ' ' ILE . 80.6 p -64.15 -33.23 75.31 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.74 -0.664 . . . . 74.31 112.107 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.93 -35.34 68.95 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 121.011 0.434 . . . . 64.42 111.487 177.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.4 ttmt -69.39 -42.64 74.85 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 120.939 0.4 . . . . 74.31 110.376 175.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.4 mt -55.1 -48.5 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 115.875 -0.602 . . . . 53.11 111.923 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.49 -35.77 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 112.624 0.602 . . . . 74.44 112.624 -176.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -88.51 -2.68 58.73 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.638 0.977 . . . . 72.31 113.638 -172.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.552 HD12 HD22 ' A' ' 51' ' ' LEU . 79.2 mt -88.79 136.92 30.32 Favored Pre-proline 0 N--CA 1.473 0.681 0 O-C-N 122.048 -0.407 . . . . 71.11 111.285 174.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.26 170.65 19.36 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 122.632 2.221 . . . . 74.33 112.106 175.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.2 p -49.17 -46.51 18.02 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 N-CA-C 112.555 0.576 . . . . 63.5 112.555 -175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' GLU . 9.0 m-20 -62.38 -63.16 1.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.57 -33.84 66.54 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 111.851 0.315 . . . . 61.44 111.851 179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HE1' HG23 ' A' ' 40' ' ' ILE . 82.1 t80 -62.83 -52.22 63.98 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 116.36 -0.382 . . . . 73.21 111.399 177.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -61.53 -29.55 70.07 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.114 0.483 . . . . 64.31 111.193 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 46.1 mt-10 -72.84 -40.97 65.31 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.195 -0.457 . . . . 72.23 110.666 174.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.552 HD22 HD12 ' A' ' 43' ' ' LEU . 49.5 tp -52.8 -48.01 67.19 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.083 0.468 . . . . 73.24 110.951 177.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.7 mt -57.38 -37.44 72.67 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.987 -0.551 . . . . 73.34 111.772 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.32 -18.31 55.37 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 112.594 0.59 . . . . 60.23 112.594 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 44.8 mtp180 -89.18 -4.16 58.34 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.215 0.45 . . . . 74.35 112.215 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.411 ' HA ' ' HD3' ' A' ' 56' ' ' PRO . 91.8 m-85 -129.7 137.48 31.01 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-O 120.593 0.235 . . . . 54.14 111.512 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 55' ' ' TYR . 11.9 Cg_exo -70.27 73.86 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.788 2.325 . . . . 43.41 112.63 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.8 mt -103.03 149.77 24.24 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.153 0.502 . . . . 65.32 111.635 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 43.5 p -85.83 157.69 20.16 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 116.365 -0.38 . . . . 54.12 110.522 175.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -49.14 -36.9 20.41 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.101 0.477 . . . . 72.23 111.434 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m -63.3 -42.55 99.04 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.04 -0.527 . . . . 72.52 111.321 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.446 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.8 mt-30 -65.91 -45.47 81.79 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 116.607 -0.269 . . . . 72.54 111.235 178.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -58.28 -35.73 72.22 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 120.904 0.383 . . . . 73.25 110.884 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.54 89.83 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 120.758 0.313 . . . . 53.42 111.095 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.1 tp -61.57 -47.8 83.84 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.462 -0.335 . . . . 74.22 111.846 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 61' ' ' GLN . 58.6 t -56.49 -42.5 75.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 121.052 0.453 . . . . 71.13 111.116 178.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -66.89 -36.77 83.05 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.247 -0.433 . . . . 75.35 111.796 175.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.67 -50.03 74.12 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.276 0.56 . . . . 71.1 110.984 176.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.46 -42.9 92.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 115.816 -0.629 . . . . 74.03 111.312 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -39.44 93.04 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.174 -0.466 . . . . 73.52 110.628 176.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -58.99 -61.32 2.73 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.91 0.386 . . . . 74.24 111.24 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.966 HH22 ' HB3' ' A' ' 24' ' ' ASP . 47.1 mtm105 -66.57 -36.7 83.28 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.543 -0.299 . . . . 71.43 111.654 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.55 -49.08 76.84 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 121.417 -0.42 . . . . 62.3 112.96 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -68.29 -34.6 76.45 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 122.254 -0.556 . . . . 71.0 110.437 177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.33 -35.02 76.23 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.127 0.489 . . . . 72.25 110.697 175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -59.12 -38.92 80.75 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.116 0.484 . . . . 75.45 111.009 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.1 t -76.16 -45.82 34.95 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 CA-C-O 121.289 0.566 . . . . 74.2 111.142 177.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' HA ' HD21 ' A' ' 80' ' ' ASN . . . -60.37 -30.51 69.62 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.836 -0.62 . . . . 45.44 112.174 -179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.86 -31.73 50.6 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 112.352 0.501 . . . . 74.0 112.352 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -77.18 -22.97 51.62 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.99 0.424 . . . . 74.21 111.771 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.4 HD21 ' HA ' ' A' ' 77' ' ' ALA . 6.4 p30 -115.13 24.1 11.96 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.327 0.584 . . . . 71.12 110.266 175.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -58.26 -39.21 78.62 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.426 -0.806 . . . . 73.43 112.822 -175.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -59.29 97.71 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.259 0.552 . . . . 74.34 111.486 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -110.34 109.65 20.14 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.039 -0.528 . . . . 74.35 110.668 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -70.59 135.19 48.27 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.823 0.344 . . . . 71.33 111.259 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -82.24 176.66 9.3 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.922 0.391 . . . . 73.32 111.031 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -69.82 156.11 39.53 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 120.968 0.413 . . . . 61.41 111.738 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -74.21 138.7 43.88 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.534 -0.303 . . . . 54.05 110.458 175.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 t -165.22 165.54 19.58 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.241 0.46 . . . . 73.1 112.241 -175.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.0 pt -132.38 179.15 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.961 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.7 p -120.89 143.79 31.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.733 -0.212 . . . . 63.53 110.496 174.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 . . . . . 0 C--O 1.253 1.249 0 CA-C-O 118.319 -0.848 . . . . 70.21 111.479 -174.236 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 ttt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.684 0.278 . . . . 75.23 111.038 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.41 -139.1 10.79 Favored Glycine 0 CA--C 1.525 0.672 0 C-N-CA 121.319 -0.467 . . . . 51.03 112.119 -177.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 60.04 22.02 11.17 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 121.455 0.645 . . . . 51.34 111.181 177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -125.16 133.4 52.81 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.097 -0.501 . . . . 73.01 110.96 -173.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -132.56 129.2 38.72 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.036 0.446 . . . . 73.4 112.089 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -87.26 159.55 18.77 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.847 0.356 . . . . 52.03 111.224 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -154.67 34.92 0.4 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 121.31 0.576 . . . . 75.24 110.655 177.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -77.97 86.81 4.16 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.66 0.743 . . . . 74.42 111.582 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.8 p -95.94 158.52 15.41 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.801 -0.636 . . . . 70.43 111.06 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -155.81 131.69 9.88 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.762 0.315 . . . . 71.23 111.304 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 69.1 mtm -75.2 143.38 43.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 121.368 0.604 . . . . 55.44 112.048 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.61 ' H ' ' HG3' ' A' ' 56' ' ' PRO . . . -160.2 -175.31 4.99 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.609 -0.723 . . . . 75.34 110.305 -179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -123.94 144.39 44.87 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-O 120.619 0.247 . . . . 64.43 111.293 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.486 ' HA ' ' HB3' ' A' ' 34' ' ' PRO . 53.0 Cg_exo -56.95 112.64 1.16 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 122.801 2.334 . . . . 75.14 113.527 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.4 p -73.82 -31.12 63.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.132 0.491 . . . . 70.0 111.32 176.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.48 152.11 19.29 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.114 -0.494 . . . . 63.22 110.521 173.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -107.4 -38.98 5.79 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.21 0.529 . . . . 51.34 111.641 -177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.84 134.83 6.21 Favored Glycine 0 CA--C 1.527 0.827 0 CA-C-N 115.943 -0.572 . . . . 43.11 112.111 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -81.54 -19.54 41.87 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 122.375 -0.485 . . . . 73.43 111.118 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 64.71 23.37 12.75 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 112.436 0.532 . . . . 75.53 112.436 175.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.79 -52.31 2.65 Favored Glycine 0 CA--C 1.524 0.596 0 C-N-CA 120.932 -0.651 . . . . 53.44 112.569 178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.1 m -80.02 147.02 31.68 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.268 0.556 . . . . 44.12 111.949 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -50.95 -38.79 52.68 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.687 -0.688 . . . . 71.41 112.457 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -62.91 -44.57 95.72 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.387 -0.37 . . . . 72.23 111.978 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 43.5 mt-10 -51.78 -43.35 62.99 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.207 0.447 . . . . 75.41 112.207 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -53.16 -28.7 27.57 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 111.843 0.312 . . . . 74.52 111.843 -179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 8.9 mpt_? -85.5 -42.71 14.2 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.14 0.495 . . . . 73.54 110.851 174.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.12 -53.58 56.43 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.033 -0.531 . . . . 61.11 111.886 -179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 25' ' ' GLU . 4.1 pp -68.41 -30.23 69.08 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 111.918 0.34 . . . . 74.3 111.918 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.457 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -63.22 -32.84 74.34 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.104 0.478 . . . . 33.22 111.271 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.632 ' HB3' ' HG2' ' A' ' 61' ' ' GLN . 95.6 mmm -98.85 -14.6 19.56 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.152 -0.476 . . . . 71.43 111.345 176.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' HE2' ' HG2' ' A' ' 14' ' ' PRO . 52.7 mtpt 71.57 89.39 0.1 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.55 0.74 . . . . 74.13 112.091 -178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.418 HG22 ' H ' ' A' ' 35' ' ' PHE . 50.1 mm -106.77 118.45 54.26 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.699 -0.682 . . . . 72.32 110.939 179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.486 ' HB3' ' HA ' ' A' ' 14' ' ' PRO . 86.5 Cg_endo -78.65 18.75 0.93 Allowed 'Trans proline' 0 CA--C 1.544 1.005 0 C-N-CA 122.866 2.377 . . . . 72.4 114.661 -175.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' H ' HG22 ' A' ' 33' ' ' ILE . 27.8 p90 -149.18 146.56 21.49 Favored Pre-proline 0 CA--C 1.541 0.603 0 O-C-N 121.961 -0.462 . . . . 74.53 111.68 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -62.04 150.85 84.86 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.923 2.415 . . . . 61.53 113.736 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 69.0 p -62.87 -35.95 81.68 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 115.622 -0.717 . . . . 72.33 112.737 -176.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -60.1 -43.71 95.37 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 120.942 0.401 . . . . 74.23 111.482 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -51.73 -42.04 61.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.287 0.565 . . . . 73.1 111.127 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.59 -43.1 31.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.603 -0.726 . . . . 75.0 112.654 -178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 69' ' ' ARG . 42.6 t -88.47 -35.88 8.47 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 N-CA-C 112.317 0.488 . . . . 73.43 112.317 -176.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -79.71 -23.22 42.51 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.639 0.978 . . . . 75.2 113.639 -173.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.472 HD12 HD22 ' A' ' 51' ' ' LEU . 34.1 mt -66.45 142.54 97.76 Favored Pre-proline 0 N--CA 1.476 0.866 0 O-C-N 121.996 -0.44 . . . . 64.24 111.779 177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.84 159.07 34.89 Favored 'Trans proline' 0 CA--C 1.541 0.864 0 C-N-CA 122.292 1.995 . . . . 32.35 112.044 174.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.4 p -56.41 -44.95 81.44 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.847 0 N-CA-C 113.123 0.786 . . . . 62.43 113.123 -172.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.01 -55.54 33.85 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.939 0.4 . . . . 61.23 111.362 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -62.87 -25.03 68.09 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.487 -0.324 . . . . 75.45 111.866 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.405 ' O ' ' HB3' ' A' ' 51' ' ' LEU . 77.0 t80 -67.92 -51.02 52.66 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.022 0.439 . . . . 71.11 110.809 174.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -60.99 -38.83 87.38 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.133 0.492 . . . . 74.31 110.786 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 55.2 mt-10 -73.54 -26.77 61.01 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 116.121 -0.491 . . . . 63.52 111.609 177.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 43' ' ' LEU . 55.8 tp -52.69 -42.62 64.95 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.246 0.546 . . . . 75.13 110.68 176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 63.1 mt -72.09 -18.86 61.88 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.54 -0.755 . . . . 72.23 112.02 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.53 -34.44 15.54 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.152 0.501 . . . . 72.03 111.671 175.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 96.6 mtt180 -74.62 -33.99 62.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.043 -0.526 . . . . 73.33 110.856 -179.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -110.14 127.96 26.17 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 116.177 -0.465 . . . . 73.33 110.541 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.61 ' HG3' ' H ' ' A' ' 12' ' ' ALA . 57.8 Cg_endo -68.08 108.52 1.75 Allowed 'Trans proline' 0 CA--C 1.542 0.882 0 C-N-CA 122.774 2.316 . . . . 65.14 113.325 -176.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 94.4 mt -130.17 148.91 52.06 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.031 0.443 . . . . 73.04 111.659 178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.0 p -85.45 159.93 19.84 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.43 -0.35 . . . . 73.11 110.439 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -43.64 -50.04 7.53 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 113.387 0.884 . . . . 74.43 113.387 -174.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -63.53 -31.4 72.55 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 122.21 -0.306 . . . . 64.42 111.776 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.632 ' HG2' ' HB3' ' A' ' 31' ' ' MET . 53.1 mt-30 -68.07 -40.65 82.69 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 120.586 0.232 . . . . 64.23 110.84 176.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.5 mp -60.94 -44.04 97.82 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.17 0.51 . . . . 75.24 110.4 174.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.56 94.6 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.957 -0.565 . . . . 52.05 111.237 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.9 tp -62.6 -50.14 72.46 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.245 -0.434 . . . . 73.14 111.449 177.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 61' ' ' GLN . 86.0 t -57.22 -44.68 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 120.978 0.418 . . . . 61.25 111.224 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.41 -27.69 68.72 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 120.824 0.345 . . . . 75.31 111.509 176.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.488 ' O ' ' HG2' ' A' ' 71' ' ' ARG . 7.9 t70 -75.3 -44.69 44.18 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.88 0.371 . . . . 71.22 110.729 177.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.4 mt -57.76 -43.81 84.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 116.507 -0.315 . . . . 64.21 110.726 176.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.505 ' HA ' HG22 ' A' ' 41' ' ' VAL . 12.7 ttm180 -60.93 -37.25 81.64 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 120.644 0.259 . . . . 65.21 111.036 173.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' HB3' ' O ' ' A' ' 67' ' ' ASP . 30.7 ttm180 -60.51 -50.65 72.7 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.97 0.414 . . . . 74.02 111.01 177.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 67' ' ' ASP . 24.9 mmm180 -67.53 -39.03 85.06 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.37 -0.377 . . . . 71.4 111.357 -178.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -38.17 79.97 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 121.023 -0.608 . . . . 65.15 112.978 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -62.79 -30.95 71.85 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 122.63 -0.335 . . . . 73.42 110.971 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -33.83 69.6 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 120.984 0.421 . . . . 61.15 110.473 177.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -63.25 -45.89 89.45 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.068 -0.514 . . . . 75.41 111.44 175.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 47.2 t -73.76 -41.9 54.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.086 0.469 . . . . 54.3 111.749 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 81' ' ' TYR . . . -62.39 -24.57 67.45 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.284 -0.416 . . . . 73.11 112.071 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.29 -20.75 4.59 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.902 0.705 . . . . 74.21 112.902 -178.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 4.1 pt20 -106.51 -46.53 3.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.372 0.508 . . . . 65.43 112.372 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 21.0 p30 -98.09 12.22 35.11 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.903 0.705 . . . . 73.31 112.903 -172.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.492 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 63.5 t80 -62.57 -19.16 63.41 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 120.826 0.346 . . . . 75.53 111.722 177.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -75.36 67.13 1.9 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.196 0.522 . . . . 72.13 111.138 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' HD11 ' A' ' 86' ' ' LEU . 8.9 tttm -94.3 138.02 32.77 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.358 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -79.65 174.68 11.34 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.002 0.429 . . . . 72.03 112.114 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 65.37 73.31 0.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.511 0.672 . . . . 72.32 111.708 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.484 ' N ' HD12 ' A' ' 86' ' ' LEU . 3.8 mp -109.34 179.73 4.07 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.912 -0.586 . . . . 61.4 110.438 177.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -76.07 112.4 12.47 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 121.117 0.484 . . . . 73.41 110.376 173.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 81.8 p -59.91 110.61 1.22 Allowed 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.499 0.555 . . . . 62.12 112.499 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.7 pt -59.41 132.62 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-O 120.882 0.373 . . . . 73.12 111.293 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG22 ' OE1' ' A' ' 91' ' ' GLN . 9.1 p -102.63 151.3 6.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-N 116.615 -0.266 . . . . 74.35 111.444 -175.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.426 ' OE1' HG22 ' A' ' 90' ' ' VAL . 2.8 mp0 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 122.933 0.493 . . . . 72.43 111.323 -173.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 120.591 0.234 . . . . 61.5 111.266 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.04 -66.99 1.44 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 121.231 -0.509 . . . . 63.21 113.272 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -73.39 85.36 1.48 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.926 0.394 . . . . 72.14 110.93 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -79.59 -32.03 41.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.409 -0.359 . . . . 73.41 111.94 -176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -148.35 137.69 22.02 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 122.294 -0.254 . . . . 74.25 110.758 177.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -144.07 140.66 29.61 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.687 0.28 . . . . 60.41 111.551 -177.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -71.55 150.84 44.38 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.039 0.447 . . . . 71.41 111.617 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -78.5 178.49 7.72 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.231 -0.44 . . . . 74.01 111.538 -177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.5 p -144.4 130.59 19.61 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.061 0.458 . . . . 74.41 112.175 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -142.02 157.03 45.4 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 122.533 0.333 . . . . 74.13 110.874 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -61.33 151.65 31.5 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 63.35 112.811 -176.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.62 106.29 3.4 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.898 -0.592 . . . . 75.31 110.794 176.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -76.41 112.44 21.38 Favored Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 120.984 0.421 . . . . 73.2 111.917 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -92.98 141.56 1.96 Allowed 'Trans proline' 0 CA--C 1.542 0.918 0 C-N-CA 123.124 2.549 . . . . 65.33 113.613 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 60.4 m -107.97 97.48 7.18 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 120.858 0.361 . . . . 72.31 110.426 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.26 32.16 2.28 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.798 0.666 . . . . 51.14 112.798 -174.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -134.97 -179.67 5.76 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 120.927 0.394 . . . . 72.11 111.389 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.75 56.01 0.77 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.388 -0.685 . . . . 71.41 111.388 -173.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -120.77 130.58 54.08 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 122.587 0.355 . . . . 70.01 111.184 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' CB ' ' HB3' ' A' ' 25' ' ' GLU . . . -172.19 -174.43 1.25 Allowed 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.224 0.453 . . . . 64.12 112.224 -177.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.93 -50.83 0.19 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.702 0.641 . . . . 40.31 114.702 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.546 ' HB2' ' HG2' ' A' ' 25' ' ' GLU . 38.0 m -59.07 154.28 16.09 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 112.625 0.602 . . . . 73.12 112.625 -174.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 35.7 ttm180 -46.79 -61.54 1.8 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.949 -0.569 . . . . 75.52 112.386 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.541 ' HA ' ' HD3' ' A' ' 27' ' ' ARG . 15.2 m-20 -61.97 -32.46 72.92 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 112.218 0.451 . . . . 71.21 112.218 -177.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.546 ' HG2' ' HB2' ' A' ' 22' ' ' SER . 56.8 mm-40 -58.3 -48.64 79.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.185 0.517 . . . . 63.12 110.446 171.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 22.3 mtm180 -66.06 -32.64 74.22 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.869 -0.605 . . . . 73.13 111.724 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.541 ' HD3' ' HA ' ' A' ' 24' ' ' ASP . 80.3 mtp180 -60.38 -45.17 94.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.36 0.6 . . . . 74.34 110.161 174.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.02 -57.2 12.52 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.566 -0.743 . . . . 71.12 112.161 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 26' ' ' ARG . 4.5 pp -64.76 -31.86 73.29 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 112.208 0.447 . . . . 64.23 112.208 -176.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.458 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -64.27 -45.63 87.2 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.315 0.578 . . . . 71.51 110.851 175.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.562 ' HG3' HD22 ' A' ' 64' ' ' LEU . 95.6 mmm -81.16 0.9 34.28 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.146 -0.479 . . . . 73.24 111.319 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm 64.44 39.24 7.09 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 112.689 0.626 . . . . 73.45 112.689 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.1 mm -67.75 118.89 62.1 Favored Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.293 -0.412 . . . . 61.34 111.09 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -86.31 24.75 0.72 Allowed 'Trans proline' 0 CA--C 1.547 1.146 0 C-N-CA 123.044 2.496 . . . . 63.45 114.939 -173.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -148.8 150.98 34.28 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 122.158 -0.339 . . . . 60.44 111.682 177.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.01 145.19 66.73 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 123.015 2.477 . . . . 64.14 114.255 -172.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.52 ' HA ' HD12 ' A' ' 40' ' ' ILE . 67.5 p -70.55 -43.44 69.53 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 115.79 -0.641 . . . . 74.41 112.606 -177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.09 -45.44 61.49 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.747 0.308 . . . . 74.32 111.491 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 39.3 ttmt -57.0 -49.33 76.1 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.677 0.275 . . . . 73.15 110.906 175.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 37' ' ' THR . 77.1 mt -47.85 -47.9 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 121.223 0.535 . . . . 53.12 111.76 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.522 ' HA ' ' HG3' ' A' ' 69' ' ' ARG . 46.6 t -68.49 -37.89 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 CA-C-N 115.918 -0.583 . . . . 63.21 111.929 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -93.73 2.39 56.28 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.186 0.809 . . . . 64.01 113.186 -172.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 33.5 mt -80.45 141.28 52.67 Favored Pre-proline 0 N--CA 1.471 0.612 0 CA-C-O 120.997 0.427 . . . . 65.34 111.98 174.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -69.4 159.09 55.01 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.508 2.138 . . . . 73.11 111.24 170.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.6 p -55.87 -33.49 35.01 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 121.04 0.447 . . . . 75.53 111.747 -177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.0 -63.23 1.21 Allowed 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.263 -0.426 . . . . 74.13 112.067 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -67.12 -30.75 70.84 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.081 0.4 . . . . 62.11 112.081 -179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.84 -54.23 45.03 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 120.812 0.339 . . . . 75.12 111.754 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -57.46 -33.27 67.78 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.965 0.412 . . . . 63.12 111.543 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -74.16 -39.39 63.27 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.472 -0.331 . . . . 74.21 111.272 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.5 tp -52.65 -47.29 67.21 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.006 0.431 . . . . 74.23 111.172 177.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.9 mt -55.2 -47.26 75.53 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.955 -0.566 . . . . 63.5 111.798 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.88 -15.73 61.59 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.42 0.526 . . . . 42.44 112.42 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -83.81 -10.95 57.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.238 0.459 . . . . 75.33 112.238 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -118.89 152.36 51.55 Favored Pre-proline 0 CA--C 1.542 0.666 0 CA-C-O 120.847 0.356 . . . . 74.11 111.841 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -76.81 46.91 2.03 Favored 'Trans proline' 0 CA--C 1.546 1.115 0 C-N-CA 122.956 2.438 . . . . 64.12 113.155 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 ' HA ' ' OE1' ' A' ' 61' ' ' GLN . 80.9 mt -76.35 149.4 36.99 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 121.144 0.497 . . . . 61.11 111.92 -176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.0 p -90.18 161.77 15.57 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.18 -0.464 . . . . 54.21 111.122 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -53.61 -22.78 9.27 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 112.018 0.377 . . . . 72.54 112.018 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.7 m -80.69 -38.21 29.35 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.189 0.518 . . . . 74.41 110.942 174.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.0 mt-30 -69.86 -43.26 72.25 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 112.325 0.491 . . . . 75.44 112.325 -179.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.21 -34.4 70.35 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.033 0.444 . . . . 72.05 110.892 175.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.12 -50.06 67.53 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.28 -0.418 . . . . 24.33 110.943 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.562 HD22 ' HG3' ' A' ' 31' ' ' MET . 52.1 tp -57.81 -46.08 85.19 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.45 -0.341 . . . . 71.31 111.787 178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 61' ' ' GLN . 93.2 t -56.77 -47.59 82.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.172 0.511 . . . . 35.31 111.348 178.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -71.39 -25.5 62.38 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.344 -0.389 . . . . 72.33 111.621 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -69.51 -56.86 6.16 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.885 0.374 . . . . 71.44 110.656 176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.53 -36.77 54.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.234 -0.439 . . . . 73.01 111.007 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.522 ' HG3' ' HA ' ' A' ' 41' ' ' VAL . 36.7 ttt-85 -59.22 -41.92 89.8 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.067 0.46 . . . . 72.42 110.674 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -65.1 -48.13 74.77 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.176 0.512 . . . . 52.55 110.158 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -49.21 -34.44 14.8 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.655 -0.702 . . . . 73.32 112.112 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -87.03 -49.04 4.16 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 121.379 -0.439 . . . . 71.13 113.294 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -65.06 -21.51 66.83 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 122.316 -0.52 . . . . 71.05 111.999 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -60.23 -38.44 83.43 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.096 0.474 . . . . 65.24 110.805 170.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -70.35 -43.55 69.98 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.159 -0.473 . . . . 55.05 110.743 176.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -62.2 -43.82 98.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 CA-C-N 116.153 -0.476 . . . . 60.12 111.602 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 81' ' ' TYR . . . -64.11 -25.44 68.1 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.351 0.5 . . . . 74.15 112.351 -178.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -35.42 74.68 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.336 0.588 . . . . 74.34 110.851 175.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -77.36 -55.46 5.38 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.819 -0.628 . . . . 74.51 111.205 177.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -105.67 87.05 2.5 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.132 0.492 . . . . 72.12 111.195 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.512 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 54.8 t80 -122.62 135.56 54.64 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.254 -0.43 . . . . 74.4 110.937 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 82' ' ' ARG . 0.1 OUTLIER -162.97 133.91 4.78 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 120.916 0.389 . . . . 73.1 111.259 179.331 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -91.66 138.19 31.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.778 0.323 . . . . 73.15 111.148 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 84' ' ' ARG . 16.3 ptt180 -159.75 142.16 13.53 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.837 0.351 . . . . 74.13 111.303 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -74.13 122.02 22.08 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.39 -0.368 . . . . 62.24 110.832 176.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 86' ' ' LEU . 3.2 mm? -64.97 106.74 1.31 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-O 120.883 0.373 . . . . 75.22 111.464 -178.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -59.21 119.91 8.24 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.282 0.563 . . . . 73.33 112.075 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 66.8 m -86.94 91.56 8.73 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.934 0.397 . . . . 63.41 110.61 176.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 59.1 mt -70.56 -61.41 1.7 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 116.381 -0.372 . . . . 73.54 111.442 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.9 m -88.01 144.28 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 120.783 0.325 . . . . 71.34 111.27 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.251 1.176 0 CA-C-O 118.659 -0.686 . . . . 75.33 111.853 -177.634 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 2' ' ' GLY . 1.1 tmt? . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.59 0.233 . . . . 52.45 110.994 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.44 ' N ' ' SD ' ' A' ' 1' ' ' MET . . . 92.59 141.01 10.06 Favored Glycine 0 CA--C 1.529 0.958 0 C-N-CA 121.312 -0.47 . . . . 60.12 113.732 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 -82.84 122.86 28.77 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 122.662 -0.317 . . . . 72.41 110.542 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -59.38 -67.25 0.39 Allowed 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.533 0.206 . . . . 64.45 111.131 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.6 t60 56.22 35.89 26.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.129 0.49 . . . . 71.24 111.74 172.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -76.03 117.84 18.16 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 111.95 0.352 . . . . 55.2 111.95 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -71.74 113.23 8.56 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.363 -0.38 . . . . 73.05 110.835 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -100.5 -43.62 6.14 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.619 0.229 . . . . 61.01 111.619 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -155.84 177.65 11.16 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.547 0.689 . . . . 61.52 112.714 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -152.54 122.91 7.21 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.468 -0.787 . . . . 71.34 110.345 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.1 ptm -95.57 142.66 27.64 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.092 0.472 . . . . 61.02 112.257 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.1 168.06 19.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.926 -0.579 . . . . 73.12 110.52 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.78 ' HE2' ' HA ' ' A' ' 13' ' ' LYS . 9.4 mmpt? -114.39 97.91 47.4 Favored Pre-proline 0 CA--C 1.543 0.678 0 N-CA-C 112.07 0.396 . . . . 72.13 112.07 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -93.66 143.21 1.89 Allowed 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 123.451 2.767 . . . . 65.3 112.744 174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.9 t -165.33 161.27 18.95 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.949 0.404 . . . . 52.35 111.607 179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.74 106.38 18.28 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.331 -0.395 . . . . 43.25 110.964 176.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 52.5 ttt85 -67.29 100.42 0.81 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.144 0.497 . . . . 73.23 110.819 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.61 -177.63 46.67 Favored Glycine 0 CA--C 1.527 0.816 0 C-N-CA 120.989 -0.624 . . . . 65.11 113.428 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -169.25 -36.7 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.392 0.615 . . . . 75.25 109.85 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -170.15 1.92 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.975 -0.557 . . . . 60.24 111.571 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.3 -165.7 12.32 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.961 -0.638 . . . . 62.21 113.594 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 25' ' ' GLU . 50.9 m -66.48 155.65 36.98 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.908 0.385 . . . . 73.44 111.654 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -60.13 -25.34 65.41 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 112.048 0.388 . . . . 71.43 112.048 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.48 -43.01 70.63 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.514 0.197 . . . . 74.24 111.35 173.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 22' ' ' SER . 26.9 mm-40 -50.34 -41.62 51.74 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 121.067 0.461 . . . . 53.41 111.202 172.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 48.9 mtt-85 -61.81 -27.7 68.94 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.403 0.52 . . . . 73.42 112.403 177.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HB3' HD21 ' A' ' 64' ' ' LEU . 7.8 mpt_? -69.59 -44.67 70.3 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.104 0.478 . . . . 74.01 110.41 172.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.45 -60.88 3.1 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.951 -0.568 . . . . 32.41 112.122 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 30' ' ' ALA . 4.3 pp -61.72 -26.05 67.81 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.276 0.472 . . . . 75.42 112.276 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' N ' HD12 ' A' ' 29' ' ' LEU . . . -70.59 -37.88 73.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.848 0.356 . . . . 62.11 111.757 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.533 ' HG3' HD22 ' A' ' 64' ' ' LEU . 97.8 mmm -101.07 23.01 11.39 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 112.138 0.422 . . . . 64.45 112.138 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 67.0 mttm 60.57 36.6 19.8 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.352 0.501 . . . . 75.45 112.352 175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.8 mm -83.92 105.72 6.34 Favored Pre-proline 0 CA--C 1.545 0.762 0 CA-C-N 116.546 -0.297 . . . . 75.31 110.496 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -79.62 14.99 1.7 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 122.55 2.167 . . . . 70.53 114.616 -172.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -132.62 143.42 48.65 Favored Pre-proline 0 CA--C 1.543 0.687 0 O-C-N 122.015 -0.428 . . . . 74.5 111.625 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -67.73 150.97 79.36 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.112 2.541 . . . . 64.03 114.048 -173.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 59.8 p -61.45 -28.81 69.54 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 116.3 -0.409 . . . . 62.33 111.714 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -51.35 -53.08 39.82 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.94 0.4 . . . . 74.41 110.903 173.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -55.79 -43.81 77.18 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.978 -0.555 . . . . 74.24 111.267 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.2 mt -58.74 -44.89 91.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 121.132 0.492 . . . . 73.03 111.935 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -81.19 -31.38 11.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 N-CA-C 112.28 0.474 . . . . 74.23 112.28 -177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.457 ' N ' HD22 ' A' ' 42' ' ' ASN . 0.9 OUTLIER -77.77 -46.27 22.17 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.325 0.491 . . . . 71.03 112.325 -176.614 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 mt -64.9 137.05 97.02 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.029 0.442 . . . . 73.22 112.188 -176.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.99 171.77 15.99 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 122.519 2.146 . . . . 65.21 111.935 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 p -57.09 -30.93 35.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 CA-C-O 120.944 0.402 . . . . 70.2 111.133 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.98 -62.55 1.58 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.964 -0.562 . . . . 72.24 111.283 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -70.25 -30.65 67.76 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.413 -0.358 . . . . 71.32 111.755 178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -58.3 -48.74 79.53 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.848 0.356 . . . . 73.31 111.373 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.31 -42.63 87.14 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.213 0.53 . . . . 70.44 111.399 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 22.0 mm-40 -72.05 -33.53 68.04 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.074 -0.512 . . . . 61.34 111.444 178.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.5 tp -59.45 -52.54 65.14 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.205 0.526 . . . . 71.54 110.49 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.431 HD21 HG11 ' A' ' 65' ' ' VAL . 84.2 mt -63.64 -19.25 64.72 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.613 -0.722 . . . . 75.13 111.738 176.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.67 -32.12 18.18 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 111.888 0.329 . . . . 72.0 111.888 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 88.5 mtt-85 -72.01 -42.48 66.36 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 121.002 0.429 . . . . 61.13 111.491 -178.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -86.19 143.37 36.9 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.391 -0.368 . . . . 72.12 110.922 177.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -75.87 43.4 1.1 Allowed 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 122.912 2.408 . . . . 65.13 113.197 -177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.4 mt -70.51 148.14 48.58 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.171 0.51 . . . . 64.51 111.744 -175.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.1 p -92.1 161.76 14.62 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.078 -0.51 . . . . 64.12 110.353 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -47.77 -42.7 26.31 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 120.853 0.359 . . . . 73.14 111.957 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.3 m -57.39 -35.48 70.06 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.077 0.465 . . . . 74.04 111.412 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.5 mt-30 -77.36 -46.93 21.25 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.181 -0.463 . . . . 70.31 111.659 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -56.4 -46.13 80.28 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-O 120.852 0.358 . . . . 71.4 111.282 178.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.62 -43.44 68.68 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.279 -0.418 . . . . 73.34 111.686 178.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.533 HD22 ' HG3' ' A' ' 31' ' ' MET . 57.8 tp -64.5 -46.63 82.12 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 120.727 0.298 . . . . 63.03 111.566 178.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -54.26 -37.01 34.89 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-O 121.083 0.468 . . . . 72.54 111.058 178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.8 mtt180 -62.88 -47.62 82.54 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.323 175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.79 -42.26 97.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.134 -0.485 . . . . 74.23 111.134 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.27 -45.55 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 116.306 -0.406 . . . . 74.32 111.326 177.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 69' ' ' ARG . 33.6 ttt85 -60.42 -45.31 94.09 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.794 0.33 . . . . 72.45 111.722 176.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.11 -54.43 41.39 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.384 -0.371 . . . . 74.15 111.415 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 71' ' ' ARG . 44.2 mtp180 -69.68 -33.01 71.96 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 112.011 0.374 . . . . 74.52 112.011 -178.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -49.29 52.39 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 121.203 -0.522 . . . . 73.03 113.137 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' O ' HG12 ' A' ' 76' ' ' VAL . 32.0 ttmt -74.53 -20.85 59.81 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 122.482 -0.422 . . . . 72.04 111.417 179.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -54.55 -34.31 61.62 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.006 0.431 . . . . 74.11 110.906 174.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -61.11 -42.94 99.44 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.136 -0.484 . . . . 62.21 111.852 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 79' ' ' GLN . 11.7 p -78.47 -29.83 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 O-C-N 122.033 -0.417 . . . . 75.12 111.126 178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.11 -8.62 54.68 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.062 0.393 . . . . 64.12 112.062 179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.78 -28.35 69.39 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 112.166 0.432 . . . . 52.12 112.166 179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 76' ' ' VAL . 29.3 pt20 -70.89 -45.76 63.77 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.004 0.43 . . . . 71.44 111.327 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -86.67 11.02 13.91 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.281 0.563 . . . . 73.32 111.374 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -69.91 -26.23 64.06 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.914 -0.585 . . . . 71.31 111.008 175.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 82' ' ' ARG . 23.2 mmt180 -75.95 105.58 7.06 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.228 0.537 . . . . 75.15 111.708 179.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -150.07 -172.96 4.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.61 -0.723 . . . . 73.25 110.202 179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -66.34 125.81 26.79 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 120.912 0.387 . . . . 74.45 111.384 175.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -75.37 85.25 2.51 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 121.089 0.471 . . . . 62.51 110.467 175.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.63 159.18 32.52 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.464 -0.334 . . . . 62.33 110.734 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -66.7 84.62 0.11 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.089 0.471 . . . . 74.33 111.502 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.5 ' O ' HG22 ' A' ' 88' ' ' THR . 22.6 m -90.97 20.54 4.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-O 121.418 0.628 . . . . 62.21 110.453 175.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 70.1 mt 72.14 -33.1 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 C-N-CA 123.294 0.638 . . . . 73.05 112.609 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.4 m -61.48 143.65 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-O 121.241 0.543 . . . . 73.52 112.422 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--O 1.253 1.248 0 CA-C-N 115.91 -0.586 . . . . 50.53 112.157 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.51 0.195 . . . . 74.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -61.23 139.49 47.59 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 121.304 -0.474 . . . . 75.31 113.595 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 -66.01 137.28 56.99 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.544 0.572 . . . . 65.03 112.544 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 62.93 18.0 10.48 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 113.082 0.771 . . . . 74.44 113.082 172.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -83.15 107.7 15.89 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.79 -0.569 . . . . 61.53 111.529 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -69.12 84.71 0.35 Allowed 'General case' 0 CA--C 1.544 0.739 0 CA-C-O 121.35 0.595 . . . . 75.33 112.128 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -144.13 116.22 8.39 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.133 0.492 . . . . 62.45 111.753 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -151.08 131.36 13.62 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.821 -0.627 . . . . 43.44 110.164 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.5 m -80.53 125.49 30.05 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.23 0.456 . . . . 64.33 112.23 -174.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -147.16 120.89 9.21 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.379 -0.373 . . . . 71.33 111.556 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.4 mmt -80.47 117.43 21.19 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.674 0.273 . . . . 73.33 111.077 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -127.13 104.59 8.05 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 112.92 0.711 . . . . 74.23 112.92 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 56.17 98.53 0.04 OUTLIER Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 113.854 1.057 . . . . 72.53 113.854 173.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -82.08 116.13 2.73 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 123.219 2.612 . . . . 73.33 112.341 174.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.9 t -126.69 171.73 10.92 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 120.757 0.313 . . . . 72.25 111.615 178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.66 23.12 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.319 0.489 . . . . 64.32 112.319 -176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.3 ptt180 -100.09 -13.62 18.93 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 116.402 -0.363 . . . . 75.25 111.776 176.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.56 137.02 6.34 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 120.726 -0.749 . . . . 64.34 114.844 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 8.3 tp10 -103.88 -9.82 18.66 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.06 0.544 . . . . 75.41 110.312 173.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' A' ' 25' ' ' GLU . . . 76.09 138.66 0.06 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.678 0.791 . . . . 62.42 111.706 -177.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -100.49 -51.51 1.21 Allowed Glycine 0 CA--C 1.526 0.762 0 C-N-CA 121.171 -0.537 . . . . 22.13 113.906 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.428 ' HB2' ' HG3' ' A' ' 25' ' ' GLU . 14.3 m -62.68 143.8 57.0 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 122.615 -0.344 . . . . 71.32 111.356 -177.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 23' ' ' ARG . 50.4 mtt180 -60.27 -37.29 79.99 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.862 0.363 . . . . 62.5 111.226 -178.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.59 -45.74 92.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 116.327 -0.397 . . . . 40.03 111.307 175.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.61 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 45.0 mt-10 -53.8 -48.69 69.57 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.987 0.422 . . . . 60.44 111.297 173.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 20' ' ' ALA . 54.8 mmm-85 -57.8 -29.28 64.75 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.992 -0.549 . . . . 70.03 111.706 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HB3' HD11 ' A' ' 64' ' ' LEU . 90.9 mtt180 -78.24 -42.19 31.95 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.193 0.52 . . . . 63.3 110.822 175.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.23 -52.37 61.54 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.891 -0.595 . . . . 53.13 111.867 -178.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.55 -22.75 66.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 120.93 0.395 . . . . 74.45 111.933 -179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.17 63.53 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.918 0.389 . . . . 55.54 111.688 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 96.3 mmm -106.21 14.02 28.13 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 111.969 0.359 . . . . 64.22 111.969 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.9 mttp 60.28 38.66 19.7 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.109 0.781 . . . . 74.14 113.109 172.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.7 mm -65.27 115.5 22.12 Favored Pre-proline 0 CA--C 1.545 0.778 0 CA-C-O 120.525 0.202 . . . . 71.21 110.878 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -86.25 21.89 1.02 Allowed 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.06 2.507 . . . . 64.41 114.568 -174.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.451 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 33.6 p90 -147.08 154.36 46.39 Favored Pre-proline 0 N--CA 1.472 0.635 0 O-C-N 122.035 -0.416 . . . . 64.04 111.723 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 35' ' ' PHE . 22.4 Cg_endo -59.63 137.38 76.97 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.225 2.617 . . . . 45.4 114.482 -173.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.1 p -67.73 -40.25 84.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 115.779 -0.646 . . . . 71.02 111.862 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -55.72 -36.16 66.91 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.965 0.412 . . . . 74.32 111.432 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -62.37 -41.34 98.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.232 -0.44 . . . . 74.22 110.776 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.55 -35.73 60.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.358 0.599 . . . . 54.33 111.212 176.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.9 t -79.71 -40.82 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 115.762 -0.654 . . . . 43.41 112.308 -178.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -89.03 -17.6 29.03 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.35 0.87 . . . . 61.42 113.35 -170.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.5 mt -82.47 136.3 45.89 Favored Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 121.909 -0.494 . . . . 74.1 111.144 174.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.3 157.34 62.25 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 122.017 1.811 . . . . 64.52 112.048 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.17 -32.53 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 CA-C-O 121.112 0.482 . . . . 51.32 112.128 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -58.18 -55.93 28.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 116.169 -0.468 . . . . 72.31 111.83 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -72.5 -30.17 64.28 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.392 -0.367 . . . . 73.32 111.312 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 65' ' ' VAL . 89.5 t80 -53.26 -45.37 68.78 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.921 0.391 . . . . 71.43 111.431 178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -58.56 -40.93 84.45 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 116.23 -0.441 . . . . 71.23 111.469 177.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 47.3 mt-10 -68.41 -40.15 81.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.931 0.396 . . . . 72.11 111.202 177.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 49.9 tp -55.25 -46.9 76.05 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.103 0.478 . . . . 51.55 111.144 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.46 -31.09 71.04 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.968 -0.56 . . . . 64.54 112.067 177.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.34 -20.69 40.11 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.323 0.49 . . . . 72.34 112.323 -178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -83.92 -39.9 19.23 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.374 0.509 . . . . 63.03 112.374 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -95.64 131.6 29.08 Favored Pre-proline 0 N--CA 1.472 0.632 0 N-CA-C 112.34 0.496 . . . . 74.04 112.34 -177.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.43 90.16 0.22 Allowed 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.654 2.236 . . . . 71.3 112.562 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 85.6 mt -114.04 148.86 36.31 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.068 0.461 . . . . 63.32 111.851 -178.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.1 p -84.68 159.77 20.48 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.369 -0.378 . . . . 64.2 110.212 171.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -49.81 -37.7 31.46 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.974 0.416 . . . . 71.42 111.746 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.3 m -63.34 -37.35 86.92 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.217 -0.447 . . . . 62.34 111.479 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.9 mt-30 -72.6 -44.6 61.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.563 -0.29 . . . . 74.42 111.669 -179.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mp -55.27 -42.99 74.27 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 120.628 0.251 . . . . 51.21 111.033 176.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.71 -48.44 66.63 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 120.876 0.37 . . . . 52.44 111.594 177.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD11 ' HB3' ' A' ' 27' ' ' ARG . 68.6 tp -61.58 -49.83 75.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.242 -0.436 . . . . 74.42 111.551 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 61' ' ' GLN . 57.4 t -55.66 -40.78 61.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 121.238 0.542 . . . . 62.03 111.244 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -61.71 -45.49 93.73 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.056 -0.52 . . . . 73.42 111.34 175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.47 -46.14 87.55 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 116.184 -0.462 . . . . 74.54 111.404 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.0 -44.09 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 116.307 -0.406 . . . . 62.11 111.527 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -54.89 -50.91 67.6 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.938 0.399 . . . . 72.22 111.006 176.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -62.08 -49.84 74.33 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.211 -0.449 . . . . 74.44 111.747 -178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -61.67 -53.2 59.32 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.025 0.44 . . . . 73.43 111.313 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.98 -40.17 96.6 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 116.123 -0.489 . . . . 72.43 113.407 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 1.7 tpmt? -61.3 -33.05 72.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.793 0.33 . . . . 75.12 111.616 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -61.19 -15.79 37.93 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 112.045 0.387 . . . . 74.24 112.045 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -62.81 -31.31 72.28 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-O 121.339 0.59 . . . . 54.05 110.721 173.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG13 HE21 ' A' ' 79' ' ' GLN . 48.6 t -81.71 -24.57 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-N 115.915 -0.584 . . . . 75.33 111.46 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.64 -41.22 30.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.834 0.679 . . . . 72.11 112.834 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.23 94.49 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 120.992 0.425 . . . . 22.14 111.895 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.47 HE21 HG13 ' A' ' 76' ' ' VAL . 13.9 pt20 -84.6 -12.71 53.52 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.792 0.329 . . . . 60.11 111.528 -178.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -104.19 5.62 35.04 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 121.029 0.442 . . . . 72.25 110.79 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -51.54 -42.94 62.16 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 113.181 0.808 . . . . 73.12 113.181 -176.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -68.06 86.36 0.25 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.482 0.658 . . . . 70.22 112.345 -173.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -101.64 113.72 27.12 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.728 -0.669 . . . . 74.24 110.286 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 84' ' ' ARG . 7.7 tpt180 -126.54 64.87 1.26 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.407 0.622 . . . . 63.55 111.299 -178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -140.5 101.02 4.01 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 116.029 -0.532 . . . . 74.02 111.395 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 tp -93.39 77.17 4.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.373 0.606 . . . . 70.52 110.111 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -130.18 101.0 5.6 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 115.966 -0.561 . . . . 75.24 110.469 -175.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 61.1 p 49.05 29.11 2.3 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.364 0.666 . . . . 73.23 112.687 -177.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 51.1 mm -64.13 -53.68 40.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 120.882 0.372 . . . . 64.13 111.945 -178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.97 95.11 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 CA-C-O 121.092 0.472 . . . . 72.43 111.434 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 . . . . . 0 C--O 1.254 1.323 0 CA-C-O 118.407 -0.806 . . . . 73.0 111.204 178.111 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.5 mtt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 120.72 0.295 . . . . 53.12 111.303 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 89.19 147.32 15.25 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 121.149 -0.548 . . . . 52.31 112.785 -175.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.6 m80 -111.57 105.94 14.65 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.224 -0.574 . . . . 74.42 111.647 -178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -73.16 -175.92 1.99 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.803 0.335 . . . . 61.13 111.097 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.8 m80 -86.44 143.21 27.9 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 120.985 0.422 . . . . 72.22 111.73 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -137.18 115.09 11.43 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.269 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -97.55 136.66 37.65 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.045 0.45 . . . . 74.33 112.064 -177.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -134.22 152.93 52.08 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.96 173.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.0 m -65.33 142.24 58.31 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 121.08 0.466 . . . . 70.21 111.83 -176.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.2 t-80 -60.41 125.04 22.16 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.14 -0.482 . . . . 50.43 111.492 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.3 mtt 68.74 21.08 7.93 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.002 0.741 . . . . 72.13 113.002 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.95 25.28 0.37 Allowed 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.016 0.436 . . . . 52.32 111.499 174.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -121.97 93.01 48.8 Favored Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 122.777 0.431 . . . . 72.44 110.904 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -91.32 -170.93 0.36 Allowed 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 123.029 2.486 . . . . 52.12 113.335 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.418 HG23 HH21 ' A' ' 17' ' ' ARG . 3.6 t -128.93 129.71 45.82 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.007 0.432 . . . . 75.15 111.646 176.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -88.2 151.19 22.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.268 -0.424 . . . . 53.03 112.008 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.418 HH21 HG23 ' A' ' 15' ' ' THR . 3.2 ptp180 -153.34 164.47 38.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.452 -0.34 . . . . 74.32 111.245 -177.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 137.91 -127.07 3.75 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 121.446 -0.407 . . . . 61.11 112.494 178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 67.41 95.0 0.06 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-O 121.002 0.429 . . . . 72.2 112.13 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.0 2.03 37.29 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 62.01 111.49 174.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.4 70.67 1.05 Allowed Glycine 0 CA--C 1.525 0.685 0 C-N-CA 121.333 -0.46 . . . . 75.23 113.251 -178.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.514 ' HB3' ' HG2' ' A' ' 25' ' ' GLU . 44.8 t -153.32 179.14 9.03 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.493 0.664 . . . . 71.44 111.874 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -80.53 -40.0 26.8 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.778 -0.646 . . . . 74.1 111.134 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.77 -32.78 72.77 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.976 -0.556 . . . . 70.21 111.987 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.514 ' HG2' ' HB3' ' A' ' 22' ' ' SER . 19.5 mm-40 -48.54 -38.69 21.1 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 112.51 0.559 . . . . 55.03 112.51 -179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -52.21 -36.01 50.96 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.924 0.713 . . . . 70.14 112.924 -176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.97 -37.43 47.39 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.749 0.309 . . . . 74.11 111.439 177.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.64 -50.94 69.21 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.065 0.46 . . . . 62.34 111.781 -179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 pp -72.27 -23.14 61.16 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.495 0.554 . . . . 73.14 112.495 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -23.5 33.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 120.878 0.371 . . . . 54.42 111.983 -179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.546 ' HG3' HD22 ' A' ' 64' ' ' LEU . 94.7 mmm -108.4 9.84 27.59 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 111.889 0.329 . . . . 65.3 111.889 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 97.8 mttt 58.46 72.19 0.54 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.179 0.514 . . . . 73.45 112.359 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mm -102.23 105.95 45.68 Favored Pre-proline 0 CA--C 1.545 0.752 0 CA-C-N 116.528 -0.305 . . . . 63.02 110.494 174.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -77.13 20.61 0.64 Allowed 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.833 2.355 . . . . 53.23 114.273 -174.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -146.67 139.5 14.31 Favored Pre-proline 0 CA--C 1.542 0.637 0 CA-C-O 120.88 0.371 . . . . 61.42 111.161 177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -62.36 141.53 87.61 Favored 'Trans proline' 0 CA--C 1.54 0.818 0 C-N-CA 122.89 2.393 . . . . 73.3 113.756 -173.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.421 ' HA ' HD12 ' A' ' 40' ' ' ILE . 58.6 p -53.86 -33.62 56.89 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.158 -0.474 . . . . 73.33 112.014 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.42 -48.45 62.67 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.876 0.37 . . . . 74.43 111.406 173.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -59.85 -45.73 91.5 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.371 -0.377 . . . . 63.4 110.937 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 37' ' ' THR . 68.6 mt -52.45 -36.24 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 116.143 -0.48 . . . . 71.14 112.269 179.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.5 t -91.63 -46.22 14.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 N-CA-C 112.674 0.62 . . . . 65.34 112.674 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -78.29 -13.88 59.66 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 113.606 0.965 . . . . 71.43 113.606 -172.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 43' ' ' LEU . 21.4 mt -65.48 145.63 99.04 Favored Pre-proline 0 N--CA 1.472 0.628 0 CA-C-O 121.055 0.455 . . . . 70.42 111.963 177.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.25 146.84 82.39 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 122.172 1.915 . . . . 72.34 111.089 168.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.9 p -49.19 -38.69 11.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 N-CA-C 112.972 0.73 . . . . 63.1 112.972 -172.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -65.12 -52.79 53.22 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.016 -0.428 . . . . 62.43 111.99 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.38 -23.85 67.59 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.752 0.31 . . . . 52.15 111.489 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -65.86 -50.61 63.92 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.891 0.377 . . . . 73.13 110.741 173.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -62.16 -36.69 82.6 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.768 0.318 . . . . 63.41 111.113 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 44.7 mm-40 -60.65 -46.97 88.32 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.001 0.429 . . . . 74.01 110.849 175.216 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 47.5 tp -49.83 -52.75 30.02 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 116.141 -0.481 . . . . 71.35 111.571 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.2 mt -66.79 -25.26 66.38 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.114 -0.493 . . . . 73.01 111.995 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.92 -13.83 43.64 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 111.914 0.339 . . . . 72.2 111.914 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 21.5 mtp180 -94.25 -48.16 6.3 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 111.901 0.334 . . . . 71.52 111.901 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -78.83 136.73 58.32 Favored Pre-proline 0 CA--C 1.539 0.553 0 N-CA-C 111.787 0.292 . . . . 40.23 111.787 -177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.89 47.61 2.39 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.019 2.48 . . . . 64.42 113.031 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.0 mt -72.0 152.79 42.2 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.006 0.431 . . . . 64.24 111.638 -178.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.2 p -81.37 159.64 24.31 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.361 -0.381 . . . . 64.44 110.97 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -49.24 -48.25 45.84 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 112.541 0.571 . . . . 74.44 112.541 -176.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.1 m -54.12 -33.59 58.17 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 120.761 0.315 . . . . 53.41 111.763 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' VAL . 52.5 mt-30 -75.99 -46.16 30.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.377 -0.374 . . . . 73.22 111.685 -178.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.1 mp -58.52 -47.01 85.58 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.817 0.342 . . . . 71.31 110.954 176.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.91 -40.16 72.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.998 0.427 . . . . 71.42 111.31 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.546 HD22 ' HG3' ' A' ' 31' ' ' MET . 53.2 tp -62.83 -56.55 16.43 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.217 -0.447 . . . . 74.44 111.255 177.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 61' ' ' GLN . 79.1 t -53.62 -44.31 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 CA-C-O 120.919 0.39 . . . . 54.43 111.847 -178.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -58.68 -35.73 73.05 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.361 -0.381 . . . . 71.34 111.576 176.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -82.3 -30.08 30.76 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-O 120.914 0.388 . . . . 60.13 111.345 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 64' ' ' LEU . 65.0 mt -62.35 -42.39 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 120.78 0.324 . . . . 75.15 110.955 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -61.66 -34.96 76.62 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.945 0.402 . . . . 71.32 110.818 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -61.95 -59.91 4.41 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.71 0.29 . . . . 70.41 111.441 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -66.92 -41.01 87.78 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.063 0.459 . . . . 75.22 111.272 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -59.43 -43.39 97.48 Favored Glycine 0 CA--C 1.526 0.76 0 CA-C-N 115.829 -0.623 . . . . 51.52 113.209 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HA ' HG12 ' A' ' 76' ' ' VAL . 36.7 ttpt -79.58 -25.59 41.53 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 122.043 -0.68 . . . . 75.52 111.332 177.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -63.89 -48.18 77.66 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.209 0.528 . . . . 72.2 110.884 176.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -65.83 -28.32 68.9 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.441 0.534 . . . . 52.55 112.441 -178.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 79' ' ' GLN . 12.9 p -95.84 -42.77 12.48 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.863 0.69 . . . . 65.33 112.863 -177.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HA ' ' OD1' ' A' ' 80' ' ' ASN . . . -71.91 -4.85 30.6 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 112.799 0.666 . . . . 73.21 112.799 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.74 -32.14 52.59 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.244 0.461 . . . . 75.15 112.244 179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.57 ' HG3' ' O ' ' A' ' 76' ' ' VAL . 4.1 pp0? -78.16 -33.51 50.24 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 112.529 0.566 . . . . 75.33 112.529 -176.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.465 ' OD1' ' HA ' ' A' ' 77' ' ' ALA . 4.1 p-10 -88.69 13.38 12.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.615 0.598 . . . . 64.51 112.615 -177.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -89.54 154.54 19.93 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 120.64 0.257 . . . . 72.43 110.847 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -79.62 -66.12 0.91 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.16 0.43 . . . . 72.35 112.16 -177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -72.05 115.34 11.16 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.32 0.581 . . . . 74.31 111.297 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.513 HH12 ' HA ' ' A' ' 79' ' ' GLN . 18.1 tpp180 -93.94 147.44 23.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 115.823 -0.626 . . . . 74.41 112.188 -172.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -68.63 80.17 0.28 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.104 0.478 . . . . 74.24 109.73 169.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.7 pp -77.53 172.21 13.7 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 121.369 0.604 . . . . 60.41 112.621 -174.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -138.38 177.1 8.13 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.843 -0.617 . . . . 53.11 111.472 -175.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 5.2 t -156.18 115.95 3.59 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.154 0.502 . . . . 75.23 110.954 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 40.1 pt -79.95 156.87 4.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 121.001 0.429 . . . . 71.03 111.833 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.4 p -74.15 163.13 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 116.386 -0.37 . . . . 70.11 111.057 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.257 1.466 0 CA-C-O 119.047 -0.502 . . . . 53.15 111.449 179.5 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.366 0.126 . . . . 41.15 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.77 173.59 32.62 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 120.594 -0.812 . . . . 71.42 113.685 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -134.9 169.02 18.03 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 122.83 0.452 . . . . 73.12 110.75 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -92.06 133.61 35.58 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.897 0.379 . . . . 75.14 110.974 174.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -92.94 141.28 28.59 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.258 0.836 . . . . 71.55 113.258 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.8 m-70 -123.0 144.71 49.07 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.479 -0.782 . . . . 71.34 109.359 169.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -122.58 -10.85 8.33 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 113.243 0.831 . . . . 62.14 113.243 -171.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -81.58 90.9 6.31 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.773 -0.58 . . . . 75.13 112.476 -173.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.2 t -166.95 127.2 1.53 Allowed 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 120.965 0.412 . . . . 73.43 111.365 176.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -122.4 140.24 52.93 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.038 0.447 . . . . 73.31 112.078 -179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.1 ttp -78.78 56.38 1.88 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-O 121.467 0.651 . . . . 63.52 110.242 173.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.63 10.34 33.14 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 112.621 0.6 . . . . 64.54 112.621 -175.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -97.85 135.31 21.57 Favored Pre-proline 0 CA--C 1.541 0.601 0 O-C-N 122.273 -0.267 . . . . 61.14 110.538 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.34 164.03 0.22 Allowed 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.117 2.545 . . . . 60.45 114.189 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -49.68 129.4 19.55 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.147 0.795 . . . . 54.42 113.147 -175.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.4 -23.66 54.05 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.99 -0.55 . . . . 54.31 111.682 177.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.508 ' HD2' ' N ' ' A' ' 17' ' ' ARG . 4.7 mpt_? -95.51 92.4 6.64 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.838 0.351 . . . . 74.31 110.519 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -164.53 49.68 0.29 Allowed Glycine 0 CA--C 1.522 0.53 0 C-N-CA 120.971 -0.633 . . . . 70.42 112.996 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -86.56 104.94 16.48 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 122.417 -0.461 . . . . 72.11 111.192 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -135.49 176.85 8.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.831 0.348 . . . . 54.33 111.506 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.58 155.48 30.01 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 121.014 -0.612 . . . . 73.42 113.357 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -75.41 -177.74 3.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.032 0.444 . . . . 73.21 111.705 177.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -56.69 -55.79 29.67 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 120.926 0.393 . . . . 70.31 111.299 -178.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.12 -34.28 74.73 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.082 -0.508 . . . . 62.14 111.573 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -63.77 -48.64 76.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.462 -0.336 . . . . 62.03 111.558 178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -60.98 -28.58 69.12 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.854 0.359 . . . . 75.54 111.456 177.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.541 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 3.1 mmp_? -71.43 -40.23 70.54 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.07 0.462 . . . . 74.41 110.594 173.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.522 ' HB1' ' HB ' ' A' ' 33' ' ' ILE . . . -61.99 -55.04 33.36 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.867 -0.606 . . . . 62.53 111.615 178.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.15 -21.03 65.83 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.219 0.452 . . . . 63.33 112.219 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.98 -41.43 97.52 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.169 0.509 . . . . 71.51 110.842 173.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 93.3 mmm -92.65 9.11 36.22 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.099 -0.501 . . . . 65.22 110.809 173.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt 54.66 65.64 1.45 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.616 -0.72 . . . . 53.11 112.561 -178.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.522 ' HB ' ' HB1' ' A' ' 28' ' ' ALA . 47.4 mm -94.63 113.42 61.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-N 115.519 -0.764 . . . . 73.43 110.562 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -83.06 30.19 0.54 Allowed 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.814 2.343 . . . . 71.24 114.527 -173.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 16.4 p90 -152.27 151.67 27.92 Favored Pre-proline 0 CA--C 1.545 0.764 0 N-CA-C 111.825 0.306 . . . . 72.21 111.825 176.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -66.84 142.8 64.34 Favored 'Trans proline' 0 N--CA 1.484 0.956 0 C-N-CA 123.127 2.552 . . . . 73.04 114.229 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 40' ' ' ILE . 79.6 p -65.88 -43.08 89.36 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 116.068 -0.514 . . . . 72.42 112.17 -178.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.97 -40.39 76.4 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.327 0.491 . . . . 71.15 112.327 -178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 40.0 ttmt -60.46 -46.57 89.57 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 122.225 -0.297 . . . . 73.32 111.167 177.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.528 HD13 HG13 ' A' ' 65' ' ' VAL . 64.7 mt -49.39 -41.15 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-O 121.437 0.637 . . . . 53.34 111.336 177.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG21 ' HA3' ' A' ' 72' ' ' GLY . 58.7 t -67.98 -33.88 63.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 115.468 -0.787 . . . . 61.55 112.454 -178.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -93.65 -5.84 47.76 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.805 0.668 . . . . 73.35 112.805 -175.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 39' ' ' LYS . 82.6 mt -80.24 142.34 54.81 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 111.672 0.249 . . . . 71.42 111.672 177.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -73.05 154.73 52.72 Favored 'Trans proline' 0 CA--C 1.538 0.718 0 C-N-CA 122.355 2.036 . . . . 60.0 111.415 172.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.3 -34.41 18.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 112.327 0.492 . . . . 55.31 112.327 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -56.54 -62.46 1.71 Allowed 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.105 0.478 . . . . 63.45 111.446 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.27 -24.93 67.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.369 -0.378 . . . . 72.42 111.912 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -63.47 -47.96 79.63 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.132 0.491 . . . . 64.33 110.393 173.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -60.8 -45.81 92.95 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.992 -0.549 . . . . 71.14 110.87 175.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 54' ' ' ARG . 28.1 mm-40 -60.07 -40.2 88.69 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.304 -0.407 . . . . 71.25 111.326 176.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 41.0 tp -58.18 -51.46 69.62 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.95 0.405 . . . . 74.22 111.254 179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD22 ' HG ' ' A' ' 62' ' ' LEU . 93.8 mt -65.32 -28.81 69.57 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.234 0.457 . . . . 72.23 112.234 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.05 -31.42 34.48 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.936 0.347 . . . . 72.23 111.936 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 24.3 mtp180 -65.55 -54.12 32.43 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.804 0.335 . . . . 73.12 111.354 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -82.25 135.67 47.21 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 116.456 -0.338 . . . . 64.02 111.161 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.32 50.52 2.3 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.753 2.302 . . . . 63.12 113.392 -178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.56 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 62.7 mt -75.35 140.49 43.08 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.674 0.274 . . . . 61.3 111.19 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.0 p -78.0 157.26 29.71 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.24 -0.287 . . . . 71.04 110.306 173.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.23 -34.5 10.3 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.539 0.57 . . . . 54.3 112.539 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.3 p -60.72 -43.92 97.26 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.026 0.441 . . . . 54.4 111.394 175.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.56 ' HB2' ' HB3' ' A' ' 57' ' ' LEU . 52.5 mt-30 -67.17 -42.76 83.71 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.322 -0.399 . . . . 54.31 111.183 178.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' HG ' HD22 ' A' ' 52' ' ' LEU . 7.3 mp -59.09 -42.66 90.97 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.624 0.25 . . . . 75.32 110.884 175.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.95 -36.36 65.23 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.89 0.376 . . . . 34.01 111.606 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' O ' HG13 ' A' ' 68' ' ' ILE . 64.7 tp -69.42 -51.7 33.94 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.463 -0.335 . . . . 72.32 111.142 175.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 40' ' ' ILE . 61.8 t -55.11 -44.67 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-O 120.935 0.398 . . . . 72.21 111.792 -179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 39.7 mtp-105 -57.19 -42.15 80.67 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.129 0.49 . . . . 72.21 110.983 176.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -66.39 -41.46 89.34 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.974 -0.557 . . . . 75.23 110.855 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.519 HD13 HG22 ' A' ' 37' ' ' THR . 81.7 mt -56.11 -43.63 76.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-O 120.917 0.389 . . . . 72.3 111.471 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 69' ' ' ARG . 5.9 tmm_? -58.45 -40.31 82.28 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 116.361 -0.381 . . . . 63.33 110.81 176.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -66.1 -41.94 89.92 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 120.784 0.326 . . . . 51.1 111.051 174.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -53.08 -51.21 62.55 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 122.861 0.465 . . . . 70.42 112.009 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.491 ' HA3' HG21 ' A' ' 41' ' ' VAL . . . -75.59 -44.49 20.77 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 121.126 -0.559 . . . . 63.14 113.541 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -63.16 -23.11 67.28 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 122.459 -0.436 . . . . 62.45 111.263 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.34 -43.15 70.99 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.375 -0.375 . . . . 72.44 110.976 173.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.66 -39.81 81.68 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.205 0.526 . . . . 54.52 110.697 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.7 t -69.5 -40.16 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 115.937 -0.574 . . . . 74.21 110.923 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.91 -21.72 65.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.927 0.394 . . . . 63.31 111.578 177.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.68 -44.04 35.34 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.947 0.403 . . . . 72.3 111.753 177.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.97 -41.7 61.58 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 111.991 0.367 . . . . 71.25 111.991 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -97.81 27.82 4.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 112.149 0.426 . . . . 64.24 112.149 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -73.8 -63.47 1.2 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 120.903 0.383 . . . . 62.14 111.661 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -83.22 104.41 13.37 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.446 -0.343 . . . . 61.04 110.102 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 83' ' ' LYS . 2.2 tmmt? -124.73 93.26 3.84 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.698 0.999 . . . . 70.0 113.698 -168.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 84' ' ' ARG . 12.5 mmp_? 51.59 109.75 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.607 1.706 . . . . 60.42 115.607 162.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.716 ' HE2' ' HA ' ' A' ' 85' ' ' LYS . 9.2 mmpt? -119.24 152.68 36.24 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.895 -0.593 . . . . 63.21 110.263 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 86' ' ' LEU . 2.4 pt? -157.47 -172.39 3.96 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.02 0.378 . . . . 73.11 112.02 -176.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.82 97.21 0.21 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.035 0.445 . . . . 72.33 110.553 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 72.4 p -91.54 135.76 33.62 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.107 -0.497 . . . . 54.03 112.022 -177.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 71.8 mt -71.87 114.87 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.341 -0.391 . . . . 73.42 110.793 175.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 35.0 m -125.37 177.05 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 120.985 0.421 . . . . 54.34 111.82 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.827 -0.606 . . . . 63.24 111.028 178.747 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptt? . . . . . 0 N--CA 1.488 1.434 0 N-CA-C 112.341 0.497 . . . . 71.34 112.341 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 63.26 95.63 0.02 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 115.262 0.865 . . . . 55.31 115.262 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -116.26 93.73 4.35 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.31 -0.523 . . . . 74.21 110.534 171.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -74.65 112.91 11.32 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 116.203 -0.453 . . . . 74.02 111.19 -177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 t60 -77.49 135.91 38.29 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 120.973 0.416 . . . . 74.52 111.453 -175.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 7' ' ' HIS . 81.5 t60 -96.24 175.83 6.3 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-N 116.412 -0.358 . . . . 73.31 111.375 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 6' ' ' HIS . 38.4 m80 80.39 -55.0 0.35 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 113.486 0.921 . . . . 74.12 113.486 172.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -55.15 104.64 0.13 Allowed 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.243 0.544 . . . . 74.42 111.693 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.0 t -173.33 152.26 2.17 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.81 -0.632 . . . . 74.44 111.353 -178.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -125.73 163.57 22.55 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.956 0.407 . . . . 71.54 110.774 177.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 21.3 ptp -104.89 38.15 1.99 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.045 0.45 . . . . 73.34 111.202 -178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -48.35 120.84 3.9 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.626 -0.715 . . . . 71.22 112.631 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -134.29 83.86 43.09 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.939 -0.573 . . . . 75.34 111.156 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -96.78 122.96 0.22 Allowed 'Trans proline' 0 CA--C 1.545 1.045 0 C-N-CA 123.4 2.733 . . . . 75.51 113.317 177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.2 m -107.91 113.63 26.98 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.78 0.324 . . . . 73.53 111.02 176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.4 137.75 34.25 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.443 -0.344 . . . . 65.31 111.335 -178.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -125.21 150.43 47.01 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.036 0.446 . . . . 70.24 112.103 -177.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.36 77.14 0.04 OUTLIER Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.047 -0.597 . . . . 41.11 113.091 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -69.56 110.69 4.93 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 121.156 0.503 . . . . 71.44 111.498 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.8 130.42 36.77 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.33 -0.396 . . . . 64.11 111.85 -178.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.61 -132.04 4.56 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 121.215 -0.517 . . . . 64.43 113.095 178.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.8 m -71.74 179.76 2.98 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.02 0.438 . . . . 51.23 111.928 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -53.21 -42.4 66.28 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 111.929 0.344 . . . . 64.42 111.929 -179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -64.25 -50.34 68.37 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 111.971 0.36 . . . . 73.05 111.971 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.07 -30.54 59.86 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.588 0.233 . . . . 60.44 111.57 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -58.86 -32.03 69.07 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 111.836 0.309 . . . . 71.02 111.836 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.511 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.2 mpt_? -74.33 -40.74 62.0 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.978 0.418 . . . . 71.31 110.398 174.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.31 -47.12 82.32 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.97 -0.559 . . . . 54.12 111.628 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.2 pp -76.13 -23.45 54.86 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.133 0.42 . . . . 74.13 112.133 179.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.7 88.15 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.989 0.424 . . . . 64.22 110.841 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.411 ' HG3' HD22 ' A' ' 64' ' ' LEU . 94.4 mmm -92.66 -2.98 55.64 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.252 -0.431 . . . . 75.55 111.403 175.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt 61.73 82.04 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.605 0.717 . . . . 70.01 112.414 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.457 HG22 ' H ' ' A' ' 35' ' ' PHE . 48.5 mm -102.05 128.77 27.81 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 115.296 -0.866 . . . . 74.4 110.789 177.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -83.49 20.67 1.14 Allowed 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.918 2.412 . . . . 75.5 114.714 -175.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.457 ' H ' HG22 ' A' ' 33' ' ' ILE . 34.5 p90 -151.52 152.3 30.37 Favored Pre-proline 0 CA--C 1.543 0.678 0 O-C-N 122.128 -0.357 . . . . 71.44 111.564 178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.16 155.13 42.16 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.944 2.43 . . . . 63.55 113.944 -174.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.435 ' HA ' HD12 ' A' ' 40' ' ' ILE . 68.2 p -64.95 -34.56 78.71 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.687 -0.688 . . . . 73.04 111.87 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -55.27 -45.56 76.15 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.96 0.41 . . . . 74.35 111.376 177.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -59.84 -39.99 87.01 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.169 -0.469 . . . . 70.52 110.995 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 37' ' ' THR . 66.6 mt -59.37 -31.42 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 121.121 0.486 . . . . 74.41 111.62 177.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.0 t -87.45 -52.65 11.26 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 N-CA-C 112.64 0.607 . . . . 75.51 112.64 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.3 -22.47 61.94 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.366 0.876 . . . . 74.41 113.366 -172.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.6 mt -70.46 139.5 86.77 Favored Pre-proline 0 N--CA 1.471 0.582 0 O-C-N 122.029 -0.42 . . . . 63.41 111.272 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.72 160.58 47.56 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.0 1.8 . . . . 71.43 112.08 174.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.3 p -47.68 -37.81 5.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.515 0.561 . . . . 74.34 112.515 -176.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -59.9 -62.25 2.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.806 0.336 . . . . 75.44 111.447 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.52 -25.9 64.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.344 -0.389 . . . . 62.15 111.737 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -67.75 -50.36 57.66 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.916 0.388 . . . . 74.42 110.876 175.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -61.05 -38.93 87.91 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.276 0.56 . . . . 55.11 110.753 176.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -68.41 -33.92 75.09 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 116.071 -0.513 . . . . 71.24 111.078 175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.59 -45.56 77.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.496 0.665 . . . . 75.42 110.807 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.89 -27.16 68.0 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.364 -0.835 . . . . 74.4 111.875 178.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.19 -25.52 21.74 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.319 0.489 . . . . 74.41 112.319 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 73.1 mtt180 -80.53 -42.27 22.74 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.115 0.413 . . . . 75.41 112.115 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -95.23 128.45 38.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 122.348 -0.22 . . . . 75.42 111.354 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.4 105.79 0.37 Allowed 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 122.634 2.223 . . . . 75.21 112.845 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' ' 61' ' ' GLN . 88.7 mt -133.36 150.37 51.83 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.057 0.456 . . . . 74.43 111.542 -178.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -82.54 157.4 23.54 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 73.42 110.382 172.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.63 -39.99 37.82 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 112.214 0.45 . . . . 73.32 112.214 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 70.5 m -61.6 -36.53 80.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 120.804 0.335 . . . . 75.42 111.501 176.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 65' ' ' VAL . 54.9 mt-30 -70.93 -43.04 69.05 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.502 -0.317 . . . . 74.23 111.352 179.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.85 -47.49 82.54 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 121.118 0.485 . . . . 72.12 110.651 175.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -38.86 78.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.025 -0.534 . . . . 70.31 111.629 177.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 27' ' ' ARG . 59.3 tp -62.89 -50.52 70.58 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.184 -0.462 . . . . 74.2 111.431 176.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 61' ' ' GLN . 92.9 t -52.85 -40.25 34.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-O 121.149 0.5 . . . . 72.21 111.409 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.5 mtp180 -61.85 -45.94 91.63 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.04 -0.527 . . . . 74.31 111.285 175.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -58.65 -40.95 84.91 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.049 -0.523 . . . . 75.34 111.031 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.8 mt -64.79 -38.2 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 CA-C-N 115.83 -0.623 . . . . 61.14 111.508 178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -68.52 -40.13 80.9 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.107 -0.371 . . . . 74.11 111.307 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.585 ' HA ' ' HE ' ' A' ' 70' ' ' ARG . 1.2 tpm_? -58.65 -36.86 74.81 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.179 0.514 . . . . 74.03 110.554 175.037 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -68.75 -62.1 1.53 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.991 -0.55 . . . . 75.14 111.826 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.15 -45.05 96.22 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-N 116.102 -0.499 . . . . 73.31 114.215 -175.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.461 ' HA ' HG12 ' A' ' 76' ' ' VAL . 13.7 tptp -67.22 -34.55 77.71 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 122.318 -0.519 . . . . 74.44 111.137 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.1 -37.74 84.45 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.196 0.522 . . . . 73.35 110.355 173.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -57.32 -49.98 74.39 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.784 -0.644 . . . . 72.31 110.554 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 73' ' ' LYS . 14.8 p -75.28 -27.68 19.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 CA-C-O 120.768 0.318 . . . . 33.11 111.609 178.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.44 90.61 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 120.843 0.354 . . . . 72.01 110.912 175.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.0 -30.8 68.25 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.117 0.484 . . . . 72.52 111.191 174.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -80.7 -27.72 36.89 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.973 -0.558 . . . . 75.23 111.34 177.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -122.68 40.92 3.57 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.139 0.422 . . . . 74.32 112.139 -175.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -87.52 -33.47 18.96 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.844 0.354 . . . . 63.21 111.591 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -75.21 84.05 2.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.014 0.435 . . . . 62.41 111.063 -176.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pptp? -151.33 157.15 42.12 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.018 0.377 . . . . 72.14 112.018 -177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.7 mmt85 56.89 21.88 6.56 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 112.711 0.634 . . . . 73.41 112.711 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 85' ' ' LYS . 7.1 mmpt? -107.84 106.9 17.4 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.942 0.401 . . . . 73.13 110.759 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.8 mt -83.17 -162.38 0.6 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.268 -0.423 . . . . 73.42 111.519 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.1 141.52 49.9 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.907 0.384 . . . . 70.13 111.462 178.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 32.1 m -71.3 104.85 3.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.129 0.49 . . . . 73.1 111.62 -177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 30.9 pt -71.79 -174.76 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.745 -0.661 . . . . 74.34 111.706 177.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -69.87 99.55 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 O-C-N 122.099 -0.376 . . . . 74.35 110.606 176.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 . . . . . 0 C--O 1.253 1.263 0 N-CA-C 113.155 0.798 . . . . 60.01 113.155 -175.901 . . . . . . . . 0 0 . 1 stop_ save_